USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 769 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 37 ALY H2 : A 37 ALY N : A 36 PHE C :(H bumps) USER MOD NoAdj-H: A 37 ALY H : A 37 ALY N : A 36 PHE C :(H bumps) USER MOD Set 1.1: A 46 LYS NZ :NH3+ -132:sc= -1.34 (180deg=-3.76!) USER MOD Set 1.2: A 50 SER OG : rot 76:sc= 0.723 USER MOD Set 2.1: A 1 MET N :NH3+ 155:sc= 1.39 (180deg=0.957) USER MOD Set 2.2: A 4 GLN : amide:sc= -0.691 K(o=0.7,f=-0.76) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= -0.0274 (180deg=-0.203) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= 0.647 (180deg=0.531) USER MOD Single : A 17 LYS NZ :NH3+ 148:sc= 1.23 (180deg=1.01) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.424 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc=-0.00946 (180deg=-0.126) USER MOD Single : A 29 GLN : amide:sc= -2.77 K(o=-2.8,f=-5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 150:sc= -0.247 USER MOD Single : A 35 HIS : no HD1:sc= 0.109 K(o=0.11,f=-6.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -149:sc= -0.561 (180deg=-1.59!) USER MOD Single : A 41 THR OG1 : rot 31:sc= 0.553 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.406 X(o=-0.41,f=0.05) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 1.18 (180deg=0.676) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= 0.842 (180deg=-0.266) USER MOD Single : A 51 TYR OH : rot 141:sc= 0.0223 USER MOD Single : A 52 CYS SG : rot 61:sc= 0.975 USER MOD Single : A 53 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.018) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.369 F(o=-3.1!,f=-0.37) USER MOD Single : A 59 MET CE :methyl -151:sc= -5.78! (180deg=-10.8!) USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.511 USER MOD Single : A 69 GLN :FLIP amide:sc= -0.1 F(o=-1.3!,f=-0.1) USER MOD Single : A 74 ASN : amide:sc= 1.22 K(o=1.2,f=-0.18) USER MOD Single : A 75 HIS : no HE2:sc= -0.366 K(o=-0.37,f=-1.7) USER MOD Single : A 76 THR OG1 : rot -170:sc= -0.226 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 153:sc= -1.4 (180deg=-4.11!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.5) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot -40:sc= 0.898 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.649 31.321 40.505 1.00 0.00 N ATOM 2 CA MET A 1 -17.953 32.160 41.684 1.00 0.00 C ATOM 3 C MET A 1 -16.706 32.881 42.161 1.00 0.00 C ATOM 4 O MET A 1 -15.591 32.437 41.909 1.00 0.00 O ATOM 5 CB MET A 1 -18.560 31.321 42.815 1.00 0.00 C ATOM 6 CG MET A 1 -19.994 30.876 42.561 1.00 0.00 C ATOM 7 SD MET A 1 -20.153 29.781 41.138 1.00 0.00 S ATOM 8 CE MET A 1 -21.931 29.575 41.080 1.00 0.00 C ATOM 0 H1 MET A 1 -18.337 30.544 40.445 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.705 31.900 39.643 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.690 30.928 40.596 1.00 0.00 H new ATOM 0 HA MET A 1 -18.690 32.906 41.387 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.940 30.438 42.971 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.529 31.899 43.738 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.373 30.367 43.448 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.619 31.755 42.407 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.195 28.920 40.249 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.277 29.133 42.014 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.405 30.546 40.941 1.00 0.00 H new ATOM 18 N SER A 2 -16.893 33.996 42.847 1.00 0.00 N ATOM 19 CA SER A 2 -15.782 34.815 43.312 1.00 0.00 C ATOM 20 C SER A 2 -14.997 34.123 44.435 1.00 0.00 C ATOM 21 O SER A 2 -13.794 34.324 44.578 1.00 0.00 O ATOM 22 CB SER A 2 -16.296 36.184 43.776 1.00 0.00 C ATOM 23 OG SER A 2 -15.234 37.113 43.942 1.00 0.00 O ATOM 0 H SER A 2 -17.813 34.359 43.097 1.00 0.00 H new ATOM 0 HA SER A 2 -15.096 34.956 42.476 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.009 36.572 43.048 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.832 36.072 44.718 1.00 0.00 H new ATOM 0 HG SER A 2 -15.596 37.975 44.236 1.00 0.00 H new ATOM 29 N ASP A 3 -15.671 33.290 45.216 1.00 0.00 N ATOM 30 CA ASP A 3 -15.021 32.589 46.335 1.00 0.00 C ATOM 31 C ASP A 3 -14.326 31.301 45.859 1.00 0.00 C ATOM 32 O ASP A 3 -14.031 30.396 46.635 1.00 0.00 O ATOM 33 CB ASP A 3 -16.047 32.287 47.442 1.00 0.00 C ATOM 34 CG ASP A 3 -15.414 31.722 48.703 1.00 0.00 C ATOM 35 OD1 ASP A 3 -14.453 32.332 49.223 1.00 0.00 O ATOM 36 OD2 ASP A 3 -15.885 30.672 49.192 1.00 0.00 O ATOM 0 H ASP A 3 -16.662 33.078 45.103 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.251 33.242 46.746 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -16.584 33.202 47.691 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -16.783 31.578 47.063 1.00 0.00 H new ATOM 41 N GLN A 4 -14.043 31.234 44.577 1.00 0.00 N ATOM 42 CA GLN A 4 -13.363 30.092 43.992 1.00 0.00 C ATOM 43 C GLN A 4 -12.661 30.508 42.719 1.00 0.00 C ATOM 44 O GLN A 4 -12.904 31.593 42.192 1.00 0.00 O ATOM 45 CB GLN A 4 -14.344 28.947 43.707 1.00 0.00 C ATOM 46 CG GLN A 4 -15.575 29.379 42.938 1.00 0.00 C ATOM 47 CD GLN A 4 -16.424 28.216 42.459 1.00 0.00 C ATOM 48 OE1 GLN A 4 -17.112 28.320 41.446 1.00 0.00 O ATOM 49 NE2 GLN A 4 -16.382 27.109 43.173 1.00 0.00 N ATOM 0 H GLN A 4 -14.276 31.968 43.908 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.625 29.730 44.708 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.828 28.170 43.143 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -14.654 28.502 44.652 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -16.182 30.026 43.572 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -15.267 29.973 42.078 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -15.798 27.063 44.008 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -16.933 26.299 42.891 1.00 0.00 H new ATOM 58 N GLU A 5 -11.792 29.664 42.224 1.00 0.00 N ATOM 59 CA GLU A 5 -11.059 29.956 41.018 1.00 0.00 C ATOM 60 C GLU A 5 -11.318 28.854 39.986 1.00 0.00 C ATOM 61 O GLU A 5 -12.071 27.914 40.245 1.00 0.00 O ATOM 62 CB GLU A 5 -9.561 30.086 41.349 1.00 0.00 C ATOM 63 CG GLU A 5 -8.716 30.702 40.244 1.00 0.00 C ATOM 64 CD GLU A 5 -7.315 31.006 40.697 1.00 0.00 C ATOM 65 OE1 GLU A 5 -6.544 30.055 40.933 1.00 0.00 O ATOM 66 OE2 GLU A 5 -6.972 32.193 40.810 1.00 0.00 O ATOM 0 H GLU A 5 -11.573 28.760 42.642 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.392 30.902 40.591 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.453 30.690 42.250 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.167 29.096 41.580 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.680 30.020 39.394 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.190 31.620 39.896 1.00 0.00 H new ATOM 73 N ALA A 6 -10.703 28.965 38.827 1.00 0.00 N ATOM 74 CA ALA A 6 -10.874 27.997 37.765 1.00 0.00 C ATOM 75 C ALA A 6 -9.597 27.894 36.955 1.00 0.00 C ATOM 76 O ALA A 6 -8.880 28.883 36.790 1.00 0.00 O ATOM 77 CB ALA A 6 -12.041 28.394 36.869 1.00 0.00 C ATOM 0 H ALA A 6 -10.070 29.730 38.595 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.094 27.024 38.204 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.157 27.656 36.075 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.955 28.438 37.461 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.846 29.372 36.430 1.00 0.00 H new ATOM 83 N LYS A 7 -9.298 26.706 36.457 1.00 0.00 N ATOM 84 CA LYS A 7 -8.099 26.501 35.653 1.00 0.00 C ATOM 85 C LYS A 7 -8.178 27.284 34.335 1.00 0.00 C ATOM 86 O LYS A 7 -9.273 27.586 33.859 1.00 0.00 O ATOM 87 CB LYS A 7 -7.836 24.988 35.412 1.00 0.00 C ATOM 88 CG LYS A 7 -9.071 24.144 35.051 1.00 0.00 C ATOM 89 CD LYS A 7 -9.567 24.386 33.627 1.00 0.00 C ATOM 90 CE LYS A 7 -8.558 23.930 32.575 1.00 0.00 C ATOM 91 NZ LYS A 7 -8.227 22.489 32.687 1.00 0.00 N ATOM 0 H LYS A 7 -9.865 25.869 36.593 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.248 26.891 36.211 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.104 24.889 34.610 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.383 24.569 36.311 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.829 23.088 35.171 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.875 24.369 35.752 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.508 23.857 33.478 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.774 25.448 33.492 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.959 24.130 31.582 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.645 24.517 32.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.720 22.182 31.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.625 22.335 33.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.104 21.938 32.786 1.00 0.00 H new ATOM 105 N PRO A 8 -7.019 27.654 33.754 1.00 0.00 N ATOM 106 CA PRO A 8 -6.965 28.415 32.492 1.00 0.00 C ATOM 107 C PRO A 8 -7.469 27.603 31.285 1.00 0.00 C ATOM 108 O PRO A 8 -8.192 26.625 31.430 1.00 0.00 O ATOM 109 CB PRO A 8 -5.470 28.740 32.341 1.00 0.00 C ATOM 110 CG PRO A 8 -4.774 27.691 33.127 1.00 0.00 C ATOM 111 CD PRO A 8 -5.672 27.382 34.287 1.00 0.00 C ATOM 0 HA PRO A 8 -7.608 29.295 32.520 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.164 28.719 31.295 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.241 29.736 32.720 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.598 26.802 32.522 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.800 28.041 33.469 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.569 26.346 34.611 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.446 28.010 35.149 1.00 0.00 H new ATOM 119 N SER A 9 -7.080 28.008 30.098 1.00 0.00 N ATOM 120 CA SER A 9 -7.521 27.343 28.891 1.00 0.00 C ATOM 121 C SER A 9 -6.324 26.898 28.062 1.00 0.00 C ATOM 122 O SER A 9 -5.410 27.677 27.803 1.00 0.00 O ATOM 123 CB SER A 9 -8.417 28.282 28.085 1.00 0.00 C ATOM 124 OG SER A 9 -9.421 28.852 28.922 1.00 0.00 O ATOM 0 H SER A 9 -6.456 28.799 29.941 1.00 0.00 H new ATOM 0 HA SER A 9 -8.094 26.456 29.161 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.816 29.073 27.637 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.885 27.735 27.266 1.00 0.00 H new ATOM 0 HG SER A 9 -9.986 29.452 28.392 1.00 0.00 H new ATOM 130 N THR A 10 -6.314 25.641 27.667 1.00 0.00 N ATOM 131 CA THR A 10 -5.224 25.099 26.885 1.00 0.00 C ATOM 132 C THR A 10 -5.617 24.983 25.413 1.00 0.00 C ATOM 133 O THR A 10 -6.620 24.349 25.069 1.00 0.00 O ATOM 134 CB THR A 10 -4.802 23.716 27.416 1.00 0.00 C ATOM 135 OG1 THR A 10 -4.607 23.791 28.838 1.00 0.00 O ATOM 136 CG2 THR A 10 -3.512 23.249 26.755 1.00 0.00 C ATOM 0 H THR A 10 -7.055 24.972 27.877 1.00 0.00 H new ATOM 0 HA THR A 10 -4.381 25.784 26.974 1.00 0.00 H new ATOM 0 HB THR A 10 -5.590 23.001 27.182 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.340 22.912 29.178 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.236 22.270 27.147 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.660 23.179 25.677 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.716 23.963 26.967 1.00 0.00 H new ATOM 144 N GLU A 11 -4.828 25.600 24.550 1.00 0.00 N ATOM 145 CA GLU A 11 -5.079 25.591 23.113 1.00 0.00 C ATOM 146 C GLU A 11 -4.926 24.184 22.541 1.00 0.00 C ATOM 147 O GLU A 11 -4.115 23.387 23.023 1.00 0.00 O ATOM 148 CB GLU A 11 -4.116 26.544 22.414 1.00 0.00 C ATOM 149 CG GLU A 11 -4.190 27.969 22.931 1.00 0.00 C ATOM 150 CD GLU A 11 -3.118 28.857 22.348 1.00 0.00 C ATOM 151 OE1 GLU A 11 -1.993 28.873 22.895 1.00 0.00 O ATOM 152 OE2 GLU A 11 -3.393 29.555 21.355 1.00 0.00 O ATOM 0 H GLU A 11 -3.995 26.122 24.822 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.104 25.920 22.941 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.098 26.174 22.537 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.328 26.543 21.345 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.169 28.386 22.696 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.099 27.962 24.017 1.00 0.00 H new ATOM 159 N ASP A 12 -5.710 23.875 21.522 1.00 0.00 N ATOM 160 CA ASP A 12 -5.670 22.565 20.882 1.00 0.00 C ATOM 161 C ASP A 12 -6.247 22.652 19.470 1.00 0.00 C ATOM 162 O ASP A 12 -6.908 23.631 19.123 1.00 0.00 O ATOM 163 CB ASP A 12 -6.443 21.538 21.730 1.00 0.00 C ATOM 164 CG ASP A 12 -6.411 20.136 21.150 1.00 0.00 C ATOM 165 OD1 ASP A 12 -5.304 19.612 20.906 1.00 0.00 O ATOM 166 OD2 ASP A 12 -7.493 19.550 20.946 1.00 0.00 O ATOM 0 H ASP A 12 -6.389 24.518 21.115 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.634 22.236 20.807 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.023 21.518 22.736 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.480 21.861 21.824 1.00 0.00 H new ATOM 171 N LEU A 13 -6.011 21.629 18.661 1.00 0.00 N ATOM 172 CA LEU A 13 -6.481 21.583 17.284 1.00 0.00 C ATOM 173 C LEU A 13 -6.552 20.128 16.816 1.00 0.00 C ATOM 174 O LEU A 13 -6.313 19.216 17.606 1.00 0.00 O ATOM 175 CB LEU A 13 -5.578 22.439 16.365 1.00 0.00 C ATOM 176 CG LEU A 13 -4.062 22.370 16.626 1.00 0.00 C ATOM 177 CD1 LEU A 13 -3.487 21.028 16.216 1.00 0.00 C ATOM 178 CD2 LEU A 13 -3.348 23.499 15.903 1.00 0.00 C ATOM 0 H LEU A 13 -5.485 20.802 18.944 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.483 22.009 17.231 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.760 22.138 15.333 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.891 23.479 16.453 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.904 22.483 17.698 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.415 21.015 16.414 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.971 20.235 16.786 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.661 20.867 15.152 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.277 23.436 16.098 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.527 23.416 14.831 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.726 24.457 16.261 1.00 0.00 H new ATOM 190 N GLY A 14 -6.892 19.901 15.553 1.00 0.00 N ATOM 191 CA GLY A 14 -7.000 18.536 15.052 1.00 0.00 C ATOM 192 C GLY A 14 -5.719 18.022 14.412 1.00 0.00 C ATOM 193 O GLY A 14 -5.285 16.901 14.683 1.00 0.00 O ATOM 0 H GLY A 14 -7.094 20.629 14.868 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.276 17.876 15.874 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.807 18.488 14.321 1.00 0.00 H new ATOM 197 N ASP A 15 -5.146 18.812 13.512 1.00 0.00 N ATOM 198 CA ASP A 15 -3.893 18.467 12.831 1.00 0.00 C ATOM 199 C ASP A 15 -2.700 18.412 13.756 1.00 0.00 C ATOM 200 O ASP A 15 -1.829 19.285 13.745 1.00 0.00 O ATOM 201 CB ASP A 15 -3.591 19.412 11.702 1.00 0.00 C ATOM 202 CG ASP A 15 -4.484 19.220 10.498 1.00 0.00 C ATOM 203 OD1 ASP A 15 -4.452 18.131 9.893 1.00 0.00 O ATOM 204 OD2 ASP A 15 -5.211 20.161 10.137 1.00 0.00 O ATOM 0 H ASP A 15 -5.534 19.712 13.230 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.059 17.464 12.437 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.693 20.437 12.060 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.552 19.282 11.398 1.00 0.00 H new ATOM 209 N LYS A 16 -2.690 17.420 14.555 1.00 0.00 N ATOM 210 CA LYS A 16 -1.569 17.115 15.443 1.00 0.00 C ATOM 211 C LYS A 16 -1.547 15.615 15.724 1.00 0.00 C ATOM 212 O LYS A 16 -2.337 14.855 15.150 1.00 0.00 O ATOM 213 CB LYS A 16 -1.656 17.917 16.771 1.00 0.00 C ATOM 214 CG LYS A 16 -2.553 17.300 17.851 1.00 0.00 C ATOM 215 CD LYS A 16 -4.006 17.252 17.431 1.00 0.00 C ATOM 216 CE LYS A 16 -4.855 16.491 18.438 1.00 0.00 C ATOM 217 NZ LYS A 16 -4.858 17.140 19.777 1.00 0.00 N ATOM 0 H LYS A 16 -3.465 16.762 14.635 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.643 17.411 14.949 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.650 18.027 17.176 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.021 18.919 16.548 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.208 16.290 18.074 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.462 17.878 18.770 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.388 18.267 17.325 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.087 16.777 16.453 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.878 16.421 18.068 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.479 15.472 18.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.552 16.667 20.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.912 17.064 20.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.112 18.143 19.676 1.00 0.00 H new ATOM 231 N LYS A 17 -0.644 15.174 16.588 1.00 0.00 N ATOM 232 CA LYS A 17 -0.579 13.768 16.967 1.00 0.00 C ATOM 233 C LYS A 17 -1.883 13.340 17.649 1.00 0.00 C ATOM 234 O LYS A 17 -2.511 14.132 18.357 1.00 0.00 O ATOM 235 CB LYS A 17 0.644 13.507 17.863 1.00 0.00 C ATOM 236 CG LYS A 17 0.756 14.433 19.074 1.00 0.00 C ATOM 237 CD LYS A 17 0.163 13.820 20.336 1.00 0.00 C ATOM 238 CE LYS A 17 0.942 12.589 20.777 1.00 0.00 C ATOM 239 NZ LYS A 17 0.524 12.120 22.118 1.00 0.00 N ATOM 0 H LYS A 17 0.053 15.767 17.039 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.461 13.164 16.068 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.608 12.475 18.213 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.547 13.607 17.261 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.805 14.672 19.249 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.247 15.372 18.857 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.165 14.560 21.137 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.877 13.548 20.156 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.797 11.789 20.051 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.007 12.819 20.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.621 11.086 22.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.126 12.561 22.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.468 12.384 22.284 1.00 0.00 H new ATOM 253 N GLU A 18 -2.295 12.084 17.415 1.00 0.00 N ATOM 254 CA GLU A 18 -3.553 11.535 17.940 1.00 0.00 C ATOM 255 C GLU A 18 -4.766 12.208 17.292 1.00 0.00 C ATOM 256 O GLU A 18 -5.896 12.077 17.770 1.00 0.00 O ATOM 257 CB GLU A 18 -3.620 11.690 19.449 1.00 0.00 C ATOM 258 CG GLU A 18 -2.613 10.863 20.217 1.00 0.00 C ATOM 259 CD GLU A 18 -2.736 11.073 21.704 1.00 0.00 C ATOM 260 OE1 GLU A 18 -2.113 12.022 22.228 1.00 0.00 O ATOM 261 OE2 GLU A 18 -3.456 10.300 22.358 1.00 0.00 O ATOM 0 H GLU A 18 -1.762 11.419 16.854 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.576 10.474 17.693 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.473 12.741 19.699 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.622 11.420 19.784 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.757 9.808 19.986 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.605 11.125 19.895 1.00 0.00 H new ATOM 268 N GLY A 19 -4.523 12.924 16.203 1.00 0.00 N ATOM 269 CA GLY A 19 -5.585 13.629 15.512 1.00 0.00 C ATOM 270 C GLY A 19 -6.544 12.716 14.763 1.00 0.00 C ATOM 271 O GLY A 19 -7.437 12.112 15.358 1.00 0.00 O ATOM 0 H GLY A 19 -3.600 13.030 15.782 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.149 14.217 16.236 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.142 14.332 14.807 1.00 0.00 H new ATOM 275 N GLU A 20 -6.363 12.601 13.458 1.00 0.00 N ATOM 276 CA GLU A 20 -7.273 11.821 12.640 1.00 0.00 C ATOM 277 C GLU A 20 -6.621 10.568 12.071 1.00 0.00 C ATOM 278 O GLU A 20 -5.445 10.567 11.679 1.00 0.00 O ATOM 279 CB GLU A 20 -7.842 12.675 11.506 1.00 0.00 C ATOM 280 CG GLU A 20 -8.713 13.830 11.977 1.00 0.00 C ATOM 281 CD GLU A 20 -9.863 13.369 12.848 1.00 0.00 C ATOM 282 OE1 GLU A 20 -10.631 12.493 12.408 1.00 0.00 O ATOM 283 OE2 GLU A 20 -10.011 13.886 13.977 1.00 0.00 O ATOM 0 H GLU A 20 -5.597 13.037 12.945 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.083 11.497 13.294 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.017 13.073 10.916 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.429 12.038 10.844 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.101 14.539 12.534 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.107 14.361 11.110 1.00 0.00 H new ATOM 290 N TYR A 21 -7.395 9.495 12.040 1.00 0.00 N ATOM 291 CA TYR A 21 -6.967 8.224 11.479 1.00 0.00 C ATOM 292 C TYR A 21 -8.086 7.677 10.624 1.00 0.00 C ATOM 293 O TYR A 21 -9.256 7.770 11.001 1.00 0.00 O ATOM 294 CB TYR A 21 -6.678 7.193 12.568 1.00 0.00 C ATOM 295 CG TYR A 21 -5.645 7.587 13.605 1.00 0.00 C ATOM 296 CD1 TYR A 21 -5.977 8.417 14.670 1.00 0.00 C ATOM 297 CD2 TYR A 21 -4.349 7.103 13.535 1.00 0.00 C ATOM 298 CE1 TYR A 21 -5.046 8.752 15.629 1.00 0.00 C ATOM 299 CE2 TYR A 21 -3.411 7.438 14.492 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.765 8.261 15.534 1.00 0.00 C ATOM 301 OH TYR A 21 -2.835 8.591 16.490 1.00 0.00 O ATOM 0 H TYR A 21 -8.347 9.482 12.407 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.057 8.399 10.905 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.612 6.968 13.083 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.348 6.271 12.089 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.982 8.806 14.747 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.068 6.453 12.719 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.321 9.397 16.451 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.404 7.055 14.422 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.980 8.162 16.277 1.00 0.00 H new ATOM 311 N ILE A 22 -7.769 7.111 9.481 1.00 0.00 N ATOM 312 CA ILE A 22 -8.784 6.535 8.637 1.00 0.00 C ATOM 313 C ILE A 22 -8.481 5.075 8.323 1.00 0.00 C ATOM 314 O ILE A 22 -7.372 4.581 8.548 1.00 0.00 O ATOM 315 CB ILE A 22 -8.918 7.302 7.315 1.00 0.00 C ATOM 316 CG1 ILE A 22 -7.543 7.494 6.684 1.00 0.00 C ATOM 317 CG2 ILE A 22 -9.606 8.643 7.538 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.592 7.687 5.204 1.00 0.00 C ATOM 0 H ILE A 22 -6.819 7.039 9.118 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.721 6.602 9.190 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.536 6.720 6.632 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.060 8.358 7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.923 6.626 6.910 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.691 9.171 6.588 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.601 8.477 7.951 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.019 9.242 8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.580 7.818 4.820 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.047 6.813 4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.185 8.572 4.972 1.00 0.00 H new ATOM 330 N LYS A 23 -9.469 4.395 7.798 1.00 0.00 N ATOM 331 CA LYS A 23 -9.362 2.996 7.410 1.00 0.00 C ATOM 332 C LYS A 23 -9.431 2.892 5.905 1.00 0.00 C ATOM 333 O LYS A 23 -10.259 3.525 5.294 1.00 0.00 O ATOM 334 CB LYS A 23 -10.526 2.207 8.017 1.00 0.00 C ATOM 335 CG LYS A 23 -11.832 2.996 8.037 1.00 0.00 C ATOM 336 CD LYS A 23 -13.040 2.126 8.338 1.00 0.00 C ATOM 337 CE LYS A 23 -13.390 1.237 7.156 1.00 0.00 C ATOM 338 NZ LYS A 23 -14.757 0.682 7.275 1.00 0.00 N ATOM 0 H LYS A 23 -10.389 4.798 7.622 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.416 2.590 7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.671 1.288 7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.268 1.915 9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.763 3.785 8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.972 3.483 7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.837 1.508 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.893 2.758 8.585 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.309 1.811 6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.670 0.421 7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.961 0.081 6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.827 0.114 8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.446 1.460 7.314 1.00 0.00 H new ATOM 352 N LEU A 24 -8.551 2.127 5.301 1.00 0.00 N ATOM 353 CA LEU A 24 -8.576 1.945 3.863 1.00 0.00 C ATOM 354 C LEU A 24 -8.372 0.476 3.515 1.00 0.00 C ATOM 355 O LEU A 24 -8.200 -0.369 4.408 1.00 0.00 O ATOM 356 CB LEU A 24 -7.525 2.809 3.159 1.00 0.00 C ATOM 357 CG LEU A 24 -7.426 4.260 3.614 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.538 4.380 4.839 1.00 0.00 C ATOM 359 CD2 LEU A 24 -6.907 5.126 2.494 1.00 0.00 C ATOM 0 H LEU A 24 -7.808 1.619 5.781 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.555 2.266 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.550 2.341 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.736 2.800 2.090 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.424 4.605 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.481 5.424 5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.956 3.785 5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.538 4.017 4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.842 6.160 2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.918 4.779 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.586 5.066 1.643 1.00 0.00 H new ATOM 371 N LYS A 25 -8.364 0.166 2.226 1.00 0.00 N ATOM 372 CA LYS A 25 -8.258 -1.203 1.772 1.00 0.00 C ATOM 373 C LYS A 25 -7.572 -1.252 0.412 1.00 0.00 C ATOM 374 O LYS A 25 -7.743 -0.363 -0.416 1.00 0.00 O ATOM 375 CB LYS A 25 -9.668 -1.831 1.722 1.00 0.00 C ATOM 376 CG LYS A 25 -9.747 -3.226 1.102 1.00 0.00 C ATOM 377 CD LYS A 25 -10.041 -3.168 -0.390 1.00 0.00 C ATOM 378 CE LYS A 25 -11.417 -2.570 -0.673 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.515 -3.423 -0.154 1.00 0.00 N ATOM 0 H LYS A 25 -8.430 0.854 1.476 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.648 -1.781 2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.060 -1.881 2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.323 -1.165 1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.806 -3.750 1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.525 -3.803 1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.276 -2.572 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.987 -4.172 -0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.482 -1.581 -0.220 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.540 -2.437 -1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.425 -3.082 -0.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.364 -4.406 -0.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.527 -3.379 0.885 1.00 0.00 H new ATOM 393 N VAL A 26 -6.789 -2.289 0.173 1.00 0.00 N ATOM 394 CA VAL A 26 -6.084 -2.422 -1.094 1.00 0.00 C ATOM 395 C VAL A 26 -6.174 -3.853 -1.588 1.00 0.00 C ATOM 396 O VAL A 26 -6.122 -4.799 -0.796 1.00 0.00 O ATOM 397 CB VAL A 26 -4.587 -1.984 -1.000 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.448 -0.701 -0.211 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.731 -3.060 -0.391 1.00 0.00 C ATOM 0 H VAL A 26 -6.624 -3.048 0.834 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.570 -1.751 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.238 -1.811 -2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.397 -0.417 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.014 0.091 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.833 -0.851 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.697 -2.718 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.087 -3.283 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.787 -3.960 -1.003 1.00 0.00 H new ATOM 409 N ILE A 27 -6.347 -4.018 -2.884 1.00 0.00 N ATOM 410 CA ILE A 27 -6.478 -5.335 -3.482 1.00 0.00 C ATOM 411 C ILE A 27 -5.411 -5.534 -4.544 1.00 0.00 C ATOM 412 O ILE A 27 -5.055 -4.600 -5.268 1.00 0.00 O ATOM 413 CB ILE A 27 -7.872 -5.495 -4.126 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.951 -5.143 -3.111 1.00 0.00 C ATOM 415 CG2 ILE A 27 -8.073 -6.915 -4.640 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.308 -4.900 -3.719 1.00 0.00 C ATOM 0 H ILE A 27 -6.401 -3.248 -3.551 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.356 -6.083 -2.698 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.943 -4.815 -4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.029 -5.951 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.644 -4.251 -2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.062 -7.003 -5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.313 -7.142 -5.388 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.987 -7.618 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.021 -4.655 -2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.248 -4.071 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.639 -5.798 -4.241 1.00 0.00 H new ATOM 428 N GLY A 28 -4.893 -6.739 -4.642 1.00 0.00 N ATOM 429 CA GLY A 28 -3.878 -7.009 -5.621 1.00 0.00 C ATOM 430 C GLY A 28 -4.293 -8.066 -6.601 1.00 0.00 C ATOM 431 O GLY A 28 -5.329 -8.706 -6.435 1.00 0.00 O ATOM 0 H GLY A 28 -5.157 -7.535 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.643 -6.091 -6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.965 -7.324 -5.116 1.00 0.00 H new ATOM 435 N GLN A 29 -3.467 -8.279 -7.618 1.00 0.00 N ATOM 436 CA GLN A 29 -3.746 -9.263 -8.668 1.00 0.00 C ATOM 437 C GLN A 29 -3.760 -10.691 -8.122 1.00 0.00 C ATOM 438 O GLN A 29 -4.113 -11.637 -8.825 1.00 0.00 O ATOM 439 CB GLN A 29 -2.726 -9.142 -9.812 1.00 0.00 C ATOM 440 CG GLN A 29 -1.323 -9.683 -9.511 1.00 0.00 C ATOM 441 CD GLN A 29 -0.627 -8.982 -8.352 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.036 -7.929 -8.516 1.00 0.00 O ATOM 443 NE2 GLN A 29 -0.653 -9.595 -7.189 1.00 0.00 N ATOM 0 H GLN A 29 -2.587 -7.779 -7.742 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.741 -9.046 -9.056 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.119 -9.668 -10.682 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.639 -8.091 -10.087 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.395 -10.748 -9.289 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.707 -9.585 -10.405 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.158 -10.475 -7.088 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.168 -9.190 -6.388 1.00 0.00 H new ATOM 452 N ASP A 30 -3.384 -10.842 -6.859 1.00 0.00 N ATOM 453 CA ASP A 30 -3.374 -12.141 -6.206 1.00 0.00 C ATOM 454 C ASP A 30 -4.776 -12.474 -5.707 1.00 0.00 C ATOM 455 O ASP A 30 -5.029 -13.561 -5.199 1.00 0.00 O ATOM 456 CB ASP A 30 -2.382 -12.133 -5.028 1.00 0.00 C ATOM 457 CG ASP A 30 -2.236 -13.492 -4.370 1.00 0.00 C ATOM 458 OD1 ASP A 30 -1.735 -14.422 -5.035 1.00 0.00 O ATOM 459 OD2 ASP A 30 -2.612 -13.634 -3.186 1.00 0.00 O ATOM 0 H ASP A 30 -3.080 -10.072 -6.263 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.059 -12.899 -6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.407 -11.800 -5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.715 -11.409 -4.284 1.00 0.00 H new ATOM 464 N SER A 31 -5.689 -11.502 -5.864 1.00 0.00 N ATOM 465 CA SER A 31 -7.087 -11.619 -5.431 1.00 0.00 C ATOM 466 C SER A 31 -7.182 -11.482 -3.918 1.00 0.00 C ATOM 467 O SER A 31 -8.222 -11.731 -3.313 1.00 0.00 O ATOM 468 CB SER A 31 -7.715 -12.943 -5.906 1.00 0.00 C ATOM 469 OG SER A 31 -7.543 -13.114 -7.309 1.00 0.00 O ATOM 0 H SER A 31 -5.473 -10.605 -6.299 1.00 0.00 H new ATOM 0 HA SER A 31 -7.653 -10.809 -5.890 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.257 -13.778 -5.375 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.777 -12.954 -5.662 1.00 0.00 H new ATOM 0 HG SER A 31 -7.948 -13.962 -7.587 1.00 0.00 H new ATOM 475 N SER A 32 -6.089 -11.055 -3.313 1.00 0.00 N ATOM 476 CA SER A 32 -6.023 -10.874 -1.890 1.00 0.00 C ATOM 477 C SER A 32 -6.144 -9.388 -1.577 1.00 0.00 C ATOM 478 O SER A 32 -5.990 -8.541 -2.475 1.00 0.00 O ATOM 479 CB SER A 32 -4.696 -11.432 -1.368 1.00 0.00 C ATOM 480 OG SER A 32 -4.717 -11.608 0.034 1.00 0.00 O ATOM 0 H SER A 32 -5.224 -10.826 -3.803 1.00 0.00 H new ATOM 0 HA SER A 32 -6.838 -11.407 -1.401 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.488 -12.387 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.886 -10.755 -1.637 1.00 0.00 H new ATOM 0 HG SER A 32 -4.131 -12.354 0.279 1.00 0.00 H new ATOM 486 N GLU A 33 -6.413 -9.055 -0.327 1.00 0.00 N ATOM 487 CA GLU A 33 -6.568 -7.674 0.064 1.00 0.00 C ATOM 488 C GLU A 33 -6.205 -7.476 1.526 1.00 0.00 C ATOM 489 O GLU A 33 -6.209 -8.420 2.319 1.00 0.00 O ATOM 490 CB GLU A 33 -7.998 -7.196 -0.198 1.00 0.00 C ATOM 491 CG GLU A 33 -9.066 -7.912 0.610 1.00 0.00 C ATOM 492 CD GLU A 33 -10.439 -7.325 0.383 1.00 0.00 C ATOM 493 OE1 GLU A 33 -11.002 -7.530 -0.705 1.00 0.00 O ATOM 494 OE2 GLU A 33 -10.958 -6.639 1.291 1.00 0.00 O ATOM 0 H GLU A 33 -6.528 -9.726 0.432 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.885 -7.077 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.055 -6.129 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.219 -7.321 -1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.075 -8.969 0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.818 -7.854 1.670 1.00 0.00 H new ATOM 501 N ILE A 34 -5.909 -6.247 1.887 1.00 0.00 N ATOM 502 CA ILE A 34 -5.556 -5.916 3.254 1.00 0.00 C ATOM 503 C ILE A 34 -6.304 -4.659 3.685 1.00 0.00 C ATOM 504 O ILE A 34 -6.561 -3.759 2.869 1.00 0.00 O ATOM 505 CB ILE A 34 -4.016 -5.705 3.431 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.632 -5.582 4.907 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.538 -4.496 2.666 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.509 -6.909 5.613 1.00 0.00 C ATOM 0 H ILE A 34 -5.905 -5.452 1.248 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.844 -6.758 3.884 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.524 -6.588 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.684 -5.050 4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.380 -4.976 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.464 -4.376 2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.750 -4.629 1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.054 -3.608 3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.234 -6.743 6.655 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.463 -7.435 5.568 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.741 -7.510 5.127 1.00 0.00 H new ATOM 520 N HIS A 35 -6.701 -4.614 4.943 1.00 0.00 N ATOM 521 CA HIS A 35 -7.380 -3.454 5.501 1.00 0.00 C ATOM 522 C HIS A 35 -6.474 -2.847 6.546 1.00 0.00 C ATOM 523 O HIS A 35 -5.836 -3.574 7.305 1.00 0.00 O ATOM 524 CB HIS A 35 -8.714 -3.853 6.162 1.00 0.00 C ATOM 525 CG HIS A 35 -9.697 -4.536 5.253 1.00 0.00 C ATOM 526 ND1 HIS A 35 -10.974 -4.866 5.645 1.00 0.00 N ATOM 527 CD2 HIS A 35 -9.583 -4.964 3.977 1.00 0.00 C ATOM 528 CE1 HIS A 35 -11.594 -5.468 4.652 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.771 -5.537 3.632 1.00 0.00 N ATOM 0 H HIS A 35 -6.564 -5.376 5.607 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.598 -2.745 4.702 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.502 -4.513 7.003 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.182 -2.957 6.570 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.711 -4.870 3.346 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.607 -5.841 4.673 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.986 -5.953 2.726 1.00 0.00 H new ATOM 538 N PHE A 36 -6.395 -1.539 6.605 1.00 0.00 N ATOM 539 CA PHE A 36 -5.505 -0.903 7.562 1.00 0.00 C ATOM 540 C PHE A 36 -6.042 0.418 8.061 1.00 0.00 C ATOM 541 O PHE A 36 -6.818 1.097 7.383 1.00 0.00 O ATOM 542 CB PHE A 36 -4.106 -0.711 6.958 1.00 0.00 C ATOM 543 CG PHE A 36 -4.116 -0.212 5.542 1.00 0.00 C ATOM 544 CD1 PHE A 36 -4.287 1.135 5.255 1.00 0.00 C ATOM 545 CD2 PHE A 36 -3.959 -1.098 4.494 1.00 0.00 C ATOM 546 CE1 PHE A 36 -4.297 1.579 3.951 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.968 -0.660 3.194 1.00 0.00 C ATOM 548 CZ PHE A 36 -4.137 0.681 2.919 1.00 0.00 C ATOM 0 H PHE A 36 -6.925 -0.898 6.014 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.437 -1.571 8.420 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.548 -0.008 7.576 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.572 -1.661 6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.413 1.842 6.062 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.827 -2.150 4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.430 2.629 3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.843 -1.365 2.386 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.144 1.026 1.896 1.00 0.00 H new HETATM 558 OH ALY A 37 -8.615 4.722 14.697 1.00 0.00 O HETATM 559 CH ALY A 37 -7.866 4.195 13.871 1.00 0.00 C HETATM 560 CH3 ALY A 37 -6.425 3.903 14.190 1.00 0.00 C HETATM 561 NZ ALY A 37 -8.280 3.845 12.660 1.00 0.00 N HETATM 562 CE ALY A 37 -9.337 2.859 12.414 1.00 0.00 C HETATM 563 CD ALY A 37 -9.101 2.037 11.140 1.00 0.00 C HETATM 564 CG ALY A 37 -7.923 1.070 11.278 1.00 0.00 C HETATM 565 CB ALY A 37 -6.584 1.794 11.261 1.00 0.00 C HETATM 566 CA ALY A 37 -5.998 2.029 9.871 1.00 0.00 C HETATM 567 N ALY A 37 -5.629 0.775 9.261 1.00 0.00 N HETATM 568 C ALY A 37 -4.767 2.913 9.988 1.00 0.00 C HETATM 569 O ALY A 37 -3.944 2.736 10.887 1.00 0.00 O HETATM 0 HH33 ALY A 37 -5.911 4.833 14.433 1.00 0.00 H new HETATM 0 HH32 ALY A 37 -6.371 3.225 15.042 1.00 0.00 H new HETATM 0 HH31 ALY A 37 -5.948 3.440 13.326 1.00 0.00 H new HETATM 0 HZ ALY A 37 -7.838 4.287 11.854 1.00 0.00 H new HETATM 0 HG3 ALY A 37 -7.953 0.344 10.465 1.00 0.00 H new HETATM 0 HG2 ALY A 37 -8.021 0.511 12.208 1.00 0.00 H new HETATM 0 HE3 ALY A 37 -10.295 3.373 12.337 1.00 0.00 H new HETATM 0 HE2 ALY A 37 -9.404 2.185 13.268 1.00 0.00 H new HETATM 0 HD3 ALY A 37 -8.917 2.712 10.304 1.00 0.00 H new HETATM 0 HD2 ALY A 37 -10.003 1.474 10.902 1.00 0.00 H new HETATM 0 HCA ALY A 37 -6.749 2.516 9.249 1.00 0.00 H new HETATM 0 HB3 ALY A 37 -5.869 1.218 11.848 1.00 0.00 H new HETATM 0 HB2 ALY A 37 -6.702 2.757 11.757 1.00 0.00 H new ATOM 584 N VAL A 38 -4.614 3.835 9.069 1.00 0.00 N ATOM 585 CA VAL A 38 -3.476 4.735 9.080 1.00 0.00 C ATOM 586 C VAL A 38 -3.884 6.120 9.553 1.00 0.00 C ATOM 587 O VAL A 38 -5.022 6.345 9.959 1.00 0.00 O ATOM 588 CB VAL A 38 -2.808 4.846 7.687 1.00 0.00 C ATOM 589 CG1 VAL A 38 -2.267 3.501 7.249 1.00 0.00 C ATOM 590 CG2 VAL A 38 -3.782 5.398 6.656 1.00 0.00 C ATOM 0 H VAL A 38 -5.265 3.986 8.298 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.751 4.312 9.775 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.974 5.543 7.766 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.801 3.598 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.526 3.155 7.970 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.083 2.781 7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.287 5.465 5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.644 4.735 6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.114 6.390 6.964 1.00 0.00 H new ATOM 600 N LYS A 39 -2.959 7.049 9.483 1.00 0.00 N ATOM 601 CA LYS A 39 -3.201 8.410 9.915 1.00 0.00 C ATOM 602 C LYS A 39 -3.519 9.278 8.717 1.00 0.00 C ATOM 603 O LYS A 39 -3.360 8.851 7.572 1.00 0.00 O ATOM 604 CB LYS A 39 -1.965 8.957 10.630 1.00 0.00 C ATOM 605 CG LYS A 39 -1.517 8.108 11.803 1.00 0.00 C ATOM 606 CD LYS A 39 -0.218 8.612 12.409 1.00 0.00 C ATOM 607 CE LYS A 39 -0.356 10.017 12.968 1.00 0.00 C ATOM 608 NZ LYS A 39 0.873 10.446 13.681 1.00 0.00 N ATOM 0 H LYS A 39 -2.018 6.885 9.126 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.047 8.419 10.603 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.146 9.034 9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.177 9.966 10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.295 8.105 12.566 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.388 7.077 11.475 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.097 7.936 13.203 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.564 8.599 11.650 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.568 10.713 12.156 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.205 10.056 13.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.742 11.410 14.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.061 9.796 14.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.678 10.433 13.023 1.00 0.00 H new ATOM 622 N MET A 40 -3.975 10.502 8.971 1.00 0.00 N ATOM 623 CA MET A 40 -4.254 11.456 7.900 1.00 0.00 C ATOM 624 C MET A 40 -2.991 11.680 7.074 1.00 0.00 C ATOM 625 O MET A 40 -3.038 11.830 5.851 1.00 0.00 O ATOM 626 CB MET A 40 -4.740 12.785 8.495 1.00 0.00 C ATOM 627 CG MET A 40 -5.086 13.873 7.472 1.00 0.00 C ATOM 628 SD MET A 40 -6.635 13.572 6.575 1.00 0.00 S ATOM 629 CE MET A 40 -6.075 12.578 5.187 1.00 0.00 C ATOM 0 H MET A 40 -4.159 10.857 9.909 1.00 0.00 H new ATOM 0 HA MET A 40 -5.036 11.055 7.255 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.622 12.590 9.106 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.969 13.169 9.162 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.155 14.832 7.985 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.271 13.954 6.753 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.710 12.771 4.322 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.044 12.838 4.946 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.131 11.522 5.450 1.00 0.00 H new ATOM 639 N THR A 41 -1.854 11.697 7.747 1.00 0.00 N ATOM 640 CA THR A 41 -0.585 11.858 7.082 1.00 0.00 C ATOM 641 C THR A 41 0.434 10.852 7.618 1.00 0.00 C ATOM 642 O THR A 41 0.748 10.846 8.810 1.00 0.00 O ATOM 643 CB THR A 41 -0.050 13.293 7.286 1.00 0.00 C ATOM 644 OG1 THR A 41 0.101 13.558 8.690 1.00 0.00 O ATOM 645 CG2 THR A 41 -1.014 14.305 6.693 1.00 0.00 C ATOM 0 H THR A 41 -1.790 11.600 8.760 1.00 0.00 H new ATOM 0 HA THR A 41 -0.734 11.678 6.017 1.00 0.00 H new ATOM 0 HB THR A 41 0.915 13.379 6.786 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.313 12.724 9.159 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.624 15.311 6.844 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.128 14.117 5.625 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.983 14.214 7.183 1.00 0.00 H new ATOM 653 N THR A 42 0.936 9.992 6.740 1.00 0.00 N ATOM 654 CA THR A 42 1.948 9.013 7.101 1.00 0.00 C ATOM 655 C THR A 42 2.449 8.307 5.835 1.00 0.00 C ATOM 656 O THR A 42 1.844 8.438 4.762 1.00 0.00 O ATOM 657 CB THR A 42 1.404 7.967 8.124 1.00 0.00 C ATOM 658 OG1 THR A 42 2.485 7.212 8.694 1.00 0.00 O ATOM 659 CG2 THR A 42 0.416 7.012 7.462 1.00 0.00 C ATOM 0 H THR A 42 0.652 9.955 5.761 1.00 0.00 H new ATOM 0 HA THR A 42 2.773 9.538 7.582 1.00 0.00 H new ATOM 0 HB THR A 42 0.888 8.515 8.912 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.128 6.562 9.334 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.054 6.295 8.199 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.425 7.578 7.063 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.913 6.479 6.651 1.00 0.00 H new ATOM 667 N HIS A 43 3.545 7.570 5.944 1.00 0.00 N ATOM 668 CA HIS A 43 4.088 6.836 4.807 1.00 0.00 C ATOM 669 C HIS A 43 3.334 5.525 4.598 1.00 0.00 C ATOM 670 O HIS A 43 3.267 4.678 5.492 1.00 0.00 O ATOM 671 CB HIS A 43 5.586 6.550 4.991 1.00 0.00 C ATOM 672 CG HIS A 43 6.475 7.755 4.844 1.00 0.00 C ATOM 673 ND1 HIS A 43 7.559 7.990 5.655 1.00 0.00 N ATOM 674 CD2 HIS A 43 6.454 8.772 3.950 1.00 0.00 C ATOM 675 CE1 HIS A 43 8.167 9.094 5.273 1.00 0.00 C ATOM 676 NE2 HIS A 43 7.517 9.590 4.237 1.00 0.00 N ATOM 0 H HIS A 43 4.077 7.464 6.808 1.00 0.00 H new ATOM 0 HA HIS A 43 3.962 7.463 3.924 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.742 6.118 5.980 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.891 5.798 4.263 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.734 8.913 3.158 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.048 9.521 5.730 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.764 10.441 3.733 1.00 0.00 H new ATOM 685 N LEU A 44 2.774 5.353 3.403 1.00 0.00 N ATOM 686 CA LEU A 44 2.013 4.144 3.048 1.00 0.00 C ATOM 687 C LEU A 44 2.885 2.878 3.059 1.00 0.00 C ATOM 688 O LEU A 44 2.384 1.750 2.934 1.00 0.00 O ATOM 689 CB LEU A 44 1.343 4.317 1.684 1.00 0.00 C ATOM 690 CG LEU A 44 0.340 5.471 1.579 1.00 0.00 C ATOM 691 CD1 LEU A 44 -0.360 5.451 0.236 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.677 5.419 2.713 1.00 0.00 C ATOM 0 H LEU A 44 2.831 6.041 2.652 1.00 0.00 H new ATOM 0 HA LEU A 44 1.246 4.012 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.120 4.466 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.830 3.389 1.431 1.00 0.00 H new ATOM 0 HG LEU A 44 0.895 6.405 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.068 6.278 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.378 5.552 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.894 4.508 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.376 6.249 2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.224 4.477 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.160 5.493 3.669 1.00 0.00 H new ATOM 704 N LYS A 45 4.187 3.058 3.188 1.00 0.00 N ATOM 705 CA LYS A 45 5.116 1.945 3.240 1.00 0.00 C ATOM 706 C LYS A 45 4.716 0.961 4.344 1.00 0.00 C ATOM 707 O LYS A 45 4.906 -0.245 4.215 1.00 0.00 O ATOM 708 CB LYS A 45 6.542 2.473 3.464 1.00 0.00 C ATOM 709 CG LYS A 45 7.643 1.432 3.284 1.00 0.00 C ATOM 710 CD LYS A 45 7.918 0.643 4.556 1.00 0.00 C ATOM 711 CE LYS A 45 8.444 1.535 5.672 1.00 0.00 C ATOM 712 NZ LYS A 45 8.760 0.755 6.897 1.00 0.00 N ATOM 0 H LYS A 45 4.628 3.975 3.259 1.00 0.00 H new ATOM 0 HA LYS A 45 5.086 1.410 2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.723 3.296 2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.609 2.882 4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.360 0.743 2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.559 1.929 2.964 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.002 0.152 4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.643 -0.143 4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.339 2.055 5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.702 2.298 5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.194 1.381 7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.885 0.348 7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.422 -0.011 6.660 1.00 0.00 H new ATOM 726 N LYS A 46 4.119 1.478 5.417 1.00 0.00 N ATOM 727 CA LYS A 46 3.694 0.635 6.521 1.00 0.00 C ATOM 728 C LYS A 46 2.608 -0.349 6.077 1.00 0.00 C ATOM 729 O LYS A 46 2.537 -1.468 6.570 1.00 0.00 O ATOM 730 CB LYS A 46 3.222 1.489 7.732 1.00 0.00 C ATOM 731 CG LYS A 46 1.897 2.245 7.546 1.00 0.00 C ATOM 732 CD LYS A 46 0.647 1.353 7.716 1.00 0.00 C ATOM 733 CE LYS A 46 0.447 0.847 9.151 1.00 0.00 C ATOM 734 NZ LYS A 46 1.317 -0.331 9.482 1.00 0.00 N ATOM 0 H LYS A 46 3.922 2.471 5.540 1.00 0.00 H new ATOM 0 HA LYS A 46 4.556 0.052 6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.125 0.834 8.598 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.002 2.214 7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.850 3.062 8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.881 2.694 6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.235 1.916 7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.727 0.498 7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.659 1.657 9.849 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.598 0.571 9.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.742 -1.072 9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.743 -0.704 8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.070 -0.034 10.135 1.00 0.00 H new ATOM 748 N LEU A 47 1.757 0.069 5.134 1.00 0.00 N ATOM 749 CA LEU A 47 0.690 -0.799 4.673 1.00 0.00 C ATOM 750 C LEU A 47 1.268 -1.887 3.803 1.00 0.00 C ATOM 751 O LEU A 47 0.765 -3.008 3.773 1.00 0.00 O ATOM 752 CB LEU A 47 -0.426 -0.015 3.946 1.00 0.00 C ATOM 753 CG LEU A 47 -0.167 0.392 2.492 1.00 0.00 C ATOM 754 CD1 LEU A 47 -0.596 -0.702 1.524 1.00 0.00 C ATOM 755 CD2 LEU A 47 -0.877 1.686 2.179 1.00 0.00 C ATOM 0 H LEU A 47 1.791 0.986 4.688 1.00 0.00 H new ATOM 0 HA LEU A 47 0.217 -1.257 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.333 -0.619 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.630 0.890 4.518 1.00 0.00 H new ATOM 0 HG LEU A 47 0.906 0.539 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.398 -0.381 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.035 -1.613 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.662 -0.896 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.685 1.965 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.949 1.558 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.510 2.471 2.840 1.00 0.00 H new ATOM 767 N LYS A 48 2.346 -1.553 3.080 1.00 0.00 N ATOM 768 CA LYS A 48 3.059 -2.559 2.294 1.00 0.00 C ATOM 769 C LYS A 48 3.514 -3.676 3.208 1.00 0.00 C ATOM 770 O LYS A 48 3.294 -4.857 2.934 1.00 0.00 O ATOM 771 CB LYS A 48 4.284 -1.964 1.594 1.00 0.00 C ATOM 772 CG LYS A 48 4.010 -1.320 0.249 1.00 0.00 C ATOM 773 CD LYS A 48 3.179 -0.062 0.371 1.00 0.00 C ATOM 774 CE LYS A 48 3.075 0.647 -0.969 1.00 0.00 C ATOM 775 NZ LYS A 48 4.378 0.649 -1.692 1.00 0.00 N ATOM 0 H LYS A 48 2.735 -0.612 3.025 1.00 0.00 H new ATOM 0 HA LYS A 48 2.377 -2.936 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.732 -1.219 2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.023 -2.753 1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.956 -1.081 -0.236 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.493 -2.033 -0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.182 -0.313 0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.627 0.605 1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.319 0.157 -1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.743 1.674 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.388 1.423 -2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.153 0.784 -1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.504 -0.259 -2.184 1.00 0.00 H new ATOM 789 N GLU A 49 4.158 -3.293 4.304 1.00 0.00 N ATOM 790 CA GLU A 49 4.628 -4.242 5.296 1.00 0.00 C ATOM 791 C GLU A 49 3.487 -5.074 5.822 1.00 0.00 C ATOM 792 O GLU A 49 3.536 -6.290 5.785 1.00 0.00 O ATOM 793 CB GLU A 49 5.294 -3.512 6.446 1.00 0.00 C ATOM 794 CG GLU A 49 6.368 -2.562 5.995 1.00 0.00 C ATOM 795 CD GLU A 49 7.123 -1.954 7.147 1.00 0.00 C ATOM 796 OE1 GLU A 49 6.709 -0.880 7.637 1.00 0.00 O ATOM 797 OE2 GLU A 49 8.141 -2.533 7.562 1.00 0.00 O ATOM 0 H GLU A 49 4.367 -2.320 4.526 1.00 0.00 H new ATOM 0 HA GLU A 49 5.353 -4.901 4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.539 -2.959 7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.726 -4.242 7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.066 -3.090 5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.919 -1.767 5.400 1.00 0.00 H new ATOM 804 N SER A 50 2.438 -4.411 6.287 1.00 0.00 N ATOM 805 CA SER A 50 1.265 -5.092 6.817 1.00 0.00 C ATOM 806 C SER A 50 0.715 -6.113 5.812 1.00 0.00 C ATOM 807 O SER A 50 0.220 -7.177 6.188 1.00 0.00 O ATOM 808 CB SER A 50 0.185 -4.068 7.179 1.00 0.00 C ATOM 809 OG SER A 50 0.689 -3.099 8.091 1.00 0.00 O ATOM 0 H SER A 50 2.375 -3.393 6.308 1.00 0.00 H new ATOM 0 HA SER A 50 1.561 -5.633 7.716 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.170 -3.573 6.275 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.672 -4.578 7.620 1.00 0.00 H new ATOM 0 HG SER A 50 1.264 -2.467 7.612 1.00 0.00 H new ATOM 815 N TYR A 51 0.843 -5.807 4.534 1.00 0.00 N ATOM 816 CA TYR A 51 0.361 -6.691 3.486 1.00 0.00 C ATOM 817 C TYR A 51 1.282 -7.910 3.383 1.00 0.00 C ATOM 818 O TYR A 51 0.836 -9.059 3.420 1.00 0.00 O ATOM 819 CB TYR A 51 0.314 -5.940 2.145 1.00 0.00 C ATOM 820 CG TYR A 51 -0.567 -6.573 1.076 1.00 0.00 C ATOM 821 CD1 TYR A 51 -0.462 -7.916 0.756 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.499 -5.812 0.386 1.00 0.00 C ATOM 823 CE1 TYR A 51 -1.259 -8.484 -0.220 1.00 0.00 C ATOM 824 CE2 TYR A 51 -2.301 -6.372 -0.593 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.175 -7.706 -0.891 1.00 0.00 C ATOM 826 OH TYR A 51 -2.964 -8.265 -1.868 1.00 0.00 O ATOM 0 H TYR A 51 1.279 -4.949 4.195 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.647 -7.027 3.730 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.038 -4.925 2.328 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.329 -5.861 1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.256 -8.531 1.279 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.601 -4.762 0.617 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.163 -9.534 -0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.021 -5.763 -1.119 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.867 -7.889 -1.814 1.00 0.00 H new ATOM 836 N CYS A 52 2.570 -7.658 3.284 1.00 0.00 N ATOM 837 CA CYS A 52 3.559 -8.719 3.157 1.00 0.00 C ATOM 838 C CYS A 52 3.624 -9.573 4.428 1.00 0.00 C ATOM 839 O CYS A 52 3.873 -10.767 4.373 1.00 0.00 O ATOM 840 CB CYS A 52 4.935 -8.118 2.847 1.00 0.00 C ATOM 841 SG CYS A 52 6.223 -9.336 2.507 1.00 0.00 S ATOM 0 H CYS A 52 2.965 -6.717 3.289 1.00 0.00 H new ATOM 0 HA CYS A 52 3.259 -9.368 2.334 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.843 -7.455 1.987 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.248 -7.503 3.691 1.00 0.00 H new ATOM 0 HG CYS A 52 5.893 -10.036 1.463 1.00 0.00 H new ATOM 847 N GLN A 53 3.388 -8.959 5.573 1.00 0.00 N ATOM 848 CA GLN A 53 3.439 -9.664 6.850 1.00 0.00 C ATOM 849 C GLN A 53 2.232 -10.575 7.037 1.00 0.00 C ATOM 850 O GLN A 53 2.335 -11.655 7.614 1.00 0.00 O ATOM 851 CB GLN A 53 3.529 -8.667 8.006 1.00 0.00 C ATOM 852 CG GLN A 53 4.767 -7.786 7.958 1.00 0.00 C ATOM 853 CD GLN A 53 6.048 -8.539 8.238 1.00 0.00 C ATOM 854 OE1 GLN A 53 6.466 -8.672 9.385 1.00 0.00 O ATOM 855 NE2 GLN A 53 6.691 -9.020 7.192 1.00 0.00 N ATOM 0 H GLN A 53 3.158 -7.968 5.649 1.00 0.00 H new ATOM 0 HA GLN A 53 4.332 -10.289 6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.642 -8.033 7.997 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.520 -9.215 8.948 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.835 -7.320 6.975 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.660 -6.981 8.685 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.311 -8.889 6.255 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.569 -9.524 7.320 1.00 0.00 H new ATOM 864 N ARG A 54 1.080 -10.145 6.547 1.00 0.00 N ATOM 865 CA ARG A 54 -0.146 -10.918 6.708 1.00 0.00 C ATOM 866 C ARG A 54 -0.309 -11.960 5.609 1.00 0.00 C ATOM 867 O ARG A 54 -0.495 -13.144 5.883 1.00 0.00 O ATOM 868 CB ARG A 54 -1.360 -9.989 6.736 1.00 0.00 C ATOM 869 CG ARG A 54 -1.428 -9.081 7.962 1.00 0.00 C ATOM 870 CD ARG A 54 -1.780 -9.854 9.224 1.00 0.00 C ATOM 871 NE ARG A 54 -0.719 -10.781 9.643 1.00 0.00 N ATOM 872 CZ ARG A 54 -0.926 -12.051 10.007 1.00 0.00 C ATOM 873 NH1 ARG A 54 -2.157 -12.550 10.015 1.00 0.00 N ATOM 874 NH2 ARG A 54 0.099 -12.813 10.371 1.00 0.00 N ATOM 0 H ARG A 54 0.966 -9.269 6.036 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.076 -11.448 7.658 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.349 -9.369 5.839 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.266 -10.593 6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.468 -8.583 8.098 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.171 -8.301 7.795 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.979 -9.150 10.031 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.699 -10.415 9.056 1.00 0.00 H new ATOM 0 HE ARG A 54 0.239 -10.432 9.657 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.947 -11.964 9.743 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.313 -13.519 10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.044 -12.430 10.373 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.059 -13.782 10.649 1.00 0.00 H new ATOM 888 N GLN A 55 -0.211 -11.527 4.368 1.00 0.00 N ATOM 889 CA GLN A 55 -0.405 -12.417 3.229 1.00 0.00 C ATOM 890 C GLN A 55 0.865 -13.185 2.895 1.00 0.00 C ATOM 891 O GLN A 55 0.837 -14.155 2.142 1.00 0.00 O ATOM 892 CB GLN A 55 -0.890 -11.630 2.006 1.00 0.00 C ATOM 893 CG GLN A 55 -2.375 -11.258 2.047 1.00 0.00 C ATOM 894 CD GLN A 55 -2.724 -10.222 3.106 1.00 0.00 C ATOM 895 OE1 GLN A 55 -1.829 -9.289 3.354 1.00 0.00 O flip ATOM 896 NE2 GLN A 55 -3.804 -10.247 3.676 1.00 0.00 N flip ATOM 0 H GLN A 55 0.002 -10.562 4.117 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.169 -13.143 3.506 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.301 -10.717 1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.699 -12.220 1.109 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.671 -10.877 1.069 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.960 -12.160 2.228 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.477 -10.983 3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.033 -9.532 4.366 1.00 0.00 H new ATOM 905 N GLY A 56 1.984 -12.742 3.450 1.00 0.00 N ATOM 906 CA GLY A 56 3.257 -13.414 3.239 1.00 0.00 C ATOM 907 C GLY A 56 3.688 -13.446 1.781 1.00 0.00 C ATOM 908 O GLY A 56 4.435 -14.329 1.361 1.00 0.00 O ATOM 0 H GLY A 56 2.036 -11.919 4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.026 -12.913 3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.186 -14.436 3.612 1.00 0.00 H new ATOM 912 N VAL A 57 3.227 -12.487 1.006 1.00 0.00 N ATOM 913 CA VAL A 57 3.571 -12.412 -0.402 1.00 0.00 C ATOM 914 C VAL A 57 4.580 -11.293 -0.645 1.00 0.00 C ATOM 915 O VAL A 57 4.649 -10.340 0.129 1.00 0.00 O ATOM 916 CB VAL A 57 2.313 -12.204 -1.292 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.475 -13.471 -1.325 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.478 -11.038 -0.788 1.00 0.00 C ATOM 0 H VAL A 57 2.609 -11.743 1.328 1.00 0.00 H new ATOM 0 HA VAL A 57 4.021 -13.365 -0.681 1.00 0.00 H new ATOM 0 HB VAL A 57 2.648 -11.974 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.598 -13.311 -1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.068 -14.289 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.157 -13.723 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.604 -10.913 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.155 -11.237 0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.076 -10.127 -0.809 1.00 0.00 H new ATOM 928 N PRO A 58 5.398 -11.412 -1.704 1.00 0.00 N ATOM 929 CA PRO A 58 6.411 -10.406 -2.031 1.00 0.00 C ATOM 930 C PRO A 58 5.790 -9.082 -2.483 1.00 0.00 C ATOM 931 O PRO A 58 5.220 -8.980 -3.564 1.00 0.00 O ATOM 932 CB PRO A 58 7.206 -11.052 -3.170 1.00 0.00 C ATOM 933 CG PRO A 58 6.269 -12.038 -3.777 1.00 0.00 C ATOM 934 CD PRO A 58 5.410 -12.538 -2.656 1.00 0.00 C ATOM 0 HA PRO A 58 7.024 -10.148 -1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.526 -10.309 -3.900 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.106 -11.540 -2.797 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.663 -11.573 -4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.815 -12.857 -4.245 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.405 -12.784 -2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.823 -13.440 -2.205 1.00 0.00 H new ATOM 942 N MET A 59 5.903 -8.069 -1.642 1.00 0.00 N ATOM 943 CA MET A 59 5.339 -6.752 -1.916 1.00 0.00 C ATOM 944 C MET A 59 6.161 -5.969 -2.928 1.00 0.00 C ATOM 945 O MET A 59 5.770 -4.891 -3.353 1.00 0.00 O ATOM 946 CB MET A 59 5.171 -5.960 -0.619 1.00 0.00 C ATOM 947 CG MET A 59 3.731 -5.885 -0.095 1.00 0.00 C ATOM 948 SD MET A 59 2.914 -7.491 0.077 1.00 0.00 S ATOM 949 CE MET A 59 2.218 -7.728 -1.558 1.00 0.00 C ATOM 0 H MET A 59 6.389 -8.133 -0.747 1.00 0.00 H new ATOM 0 HA MET A 59 4.357 -6.908 -2.362 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.800 -6.410 0.149 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.538 -4.946 -0.778 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.736 -5.388 0.875 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.144 -5.262 -0.770 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.317 -8.337 -1.485 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.967 -6.759 -1.990 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.946 -8.231 -2.194 1.00 0.00 H new ATOM 959 N ASN A 60 7.318 -6.492 -3.288 1.00 0.00 N ATOM 960 CA ASN A 60 8.197 -5.809 -4.234 1.00 0.00 C ATOM 961 C ASN A 60 7.880 -6.211 -5.671 1.00 0.00 C ATOM 962 O ASN A 60 7.955 -5.394 -6.587 1.00 0.00 O ATOM 963 CB ASN A 60 9.662 -6.110 -3.920 1.00 0.00 C ATOM 964 CG ASN A 60 10.024 -5.841 -2.475 1.00 0.00 C ATOM 965 OD1 ASN A 60 9.332 -4.916 -1.852 1.00 0.00 O flip ATOM 966 ND2 ASN A 60 10.916 -6.485 -1.917 1.00 0.00 N flip ATOM 0 H ASN A 60 7.675 -7.384 -2.944 1.00 0.00 H new ATOM 0 HA ASN A 60 8.025 -4.738 -4.131 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.871 -7.154 -4.153 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.298 -5.506 -4.567 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.432 -7.196 -2.435 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.138 -6.306 -0.938 1.00 0.00 H new ATOM 973 N SER A 61 7.568 -7.492 -5.869 1.00 0.00 N ATOM 974 CA SER A 61 7.195 -8.023 -7.184 1.00 0.00 C ATOM 975 C SER A 61 6.069 -7.200 -7.834 1.00 0.00 C ATOM 976 O SER A 61 5.981 -7.084 -9.059 1.00 0.00 O ATOM 977 CB SER A 61 6.762 -9.475 -7.037 1.00 0.00 C ATOM 978 OG SER A 61 7.674 -10.186 -6.225 1.00 0.00 O ATOM 0 H SER A 61 7.566 -8.191 -5.126 1.00 0.00 H new ATOM 0 HA SER A 61 8.066 -7.958 -7.836 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.765 -9.520 -6.599 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.700 -9.943 -8.019 1.00 0.00 H new ATOM 0 HG SER A 61 7.379 -11.117 -6.140 1.00 0.00 H new ATOM 984 N LEU A 62 5.209 -6.641 -7.015 1.00 0.00 N ATOM 985 CA LEU A 62 4.123 -5.823 -7.494 1.00 0.00 C ATOM 986 C LEU A 62 4.217 -4.411 -6.922 1.00 0.00 C ATOM 987 O LEU A 62 5.007 -4.150 -6.022 1.00 0.00 O ATOM 988 CB LEU A 62 2.738 -6.469 -7.192 1.00 0.00 C ATOM 989 CG LEU A 62 2.525 -7.174 -5.827 1.00 0.00 C ATOM 990 CD1 LEU A 62 3.177 -8.544 -5.804 1.00 0.00 C ATOM 991 CD2 LEU A 62 3.011 -6.318 -4.669 1.00 0.00 C ATOM 0 H LEU A 62 5.243 -6.741 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 62 4.212 -5.754 -8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.983 -5.688 -7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.536 -7.199 -7.976 1.00 0.00 H new ATOM 0 HG LEU A 62 1.451 -7.313 -5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.009 -9.011 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.743 -9.167 -6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.248 -8.440 -5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.844 -6.847 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.076 -6.116 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.462 -5.376 -4.657 1.00 0.00 H new ATOM 1003 N ARG A 63 3.427 -3.496 -7.444 1.00 0.00 N ATOM 1004 CA ARG A 63 3.441 -2.132 -6.945 1.00 0.00 C ATOM 1005 C ARG A 63 2.048 -1.683 -6.554 1.00 0.00 C ATOM 1006 O ARG A 63 1.061 -2.331 -6.883 1.00 0.00 O ATOM 1007 CB ARG A 63 4.067 -1.147 -7.947 1.00 0.00 C ATOM 1008 CG ARG A 63 3.335 -1.006 -9.276 1.00 0.00 C ATOM 1009 CD ARG A 63 3.696 -2.112 -10.243 1.00 0.00 C ATOM 1010 NE ARG A 63 3.338 -1.752 -11.612 1.00 0.00 N ATOM 1011 CZ ARG A 63 4.228 -1.483 -12.570 1.00 0.00 C ATOM 1012 NH1 ARG A 63 5.531 -1.602 -12.330 1.00 0.00 N ATOM 1013 NH2 ARG A 63 3.815 -1.110 -13.766 1.00 0.00 N ATOM 0 H ARG A 63 2.772 -3.667 -8.207 1.00 0.00 H new ATOM 0 HA ARG A 63 4.071 -2.129 -6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.123 -0.165 -7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.091 -1.463 -8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.259 -1.015 -9.100 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.577 -0.041 -9.722 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.765 -2.315 -10.185 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.181 -3.030 -9.959 1.00 0.00 H new ATOM 0 HE ARG A 63 2.348 -1.703 -11.851 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.855 -1.900 -11.410 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.206 -1.395 -13.066 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.817 -1.027 -13.958 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.494 -0.904 -14.499 1.00 0.00 H new ATOM 1027 N PHE A 64 1.966 -0.547 -5.884 1.00 0.00 N ATOM 1028 CA PHE A 64 0.705 -0.048 -5.372 1.00 0.00 C ATOM 1029 C PHE A 64 0.315 1.227 -6.093 1.00 0.00 C ATOM 1030 O PHE A 64 0.961 2.275 -5.939 1.00 0.00 O ATOM 1031 CB PHE A 64 0.795 0.190 -3.859 1.00 0.00 C ATOM 1032 CG PHE A 64 0.928 -1.076 -3.039 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.049 -1.888 -3.153 1.00 0.00 C ATOM 1034 CD2 PHE A 64 -0.068 -1.447 -2.151 1.00 0.00 C ATOM 1035 CE1 PHE A 64 2.171 -3.040 -2.402 1.00 0.00 C ATOM 1036 CE2 PHE A 64 0.052 -2.601 -1.396 1.00 0.00 C ATOM 1037 CZ PHE A 64 1.171 -3.395 -1.523 1.00 0.00 C ATOM 0 H PHE A 64 2.767 0.051 -5.681 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.066 -0.797 -5.553 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.650 0.834 -3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.095 0.729 -3.534 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.837 -1.614 -3.839 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.948 -0.829 -2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.048 -3.662 -2.503 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.732 -2.879 -0.707 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.264 -4.295 -0.934 1.00 0.00 H new ATOM 1047 N LEU A 65 -0.716 1.130 -6.897 1.00 0.00 N ATOM 1048 CA LEU A 65 -1.192 2.254 -7.670 1.00 0.00 C ATOM 1049 C LEU A 65 -2.610 2.617 -7.286 1.00 0.00 C ATOM 1050 O LEU A 65 -3.449 1.756 -7.040 1.00 0.00 O ATOM 1051 CB LEU A 65 -1.113 1.951 -9.168 1.00 0.00 C ATOM 1052 CG LEU A 65 0.234 1.418 -9.681 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.184 1.200 -11.183 1.00 0.00 C ATOM 1054 CD2 LEU A 65 1.369 2.365 -9.321 1.00 0.00 C ATOM 0 H LEU A 65 -1.249 0.271 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.549 3.106 -7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.885 1.222 -9.411 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.352 2.863 -9.715 1.00 0.00 H new ATOM 0 HG LEU A 65 0.423 0.461 -9.196 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.147 0.823 -11.528 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.596 0.476 -11.420 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.035 2.145 -11.681 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.311 1.964 -9.696 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.186 3.341 -9.771 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.425 2.470 -8.238 1.00 0.00 H new ATOM 1066 N PHE A 66 -2.875 3.889 -7.229 1.00 0.00 N ATOM 1067 CA PHE A 66 -4.188 4.378 -6.888 1.00 0.00 C ATOM 1068 C PHE A 66 -4.770 5.136 -8.048 1.00 0.00 C ATOM 1069 O PHE A 66 -4.376 6.259 -8.307 1.00 0.00 O ATOM 1070 CB PHE A 66 -4.130 5.273 -5.648 1.00 0.00 C ATOM 1071 CG PHE A 66 -5.418 5.987 -5.347 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -6.633 5.331 -5.452 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -5.410 7.316 -4.966 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -7.811 5.984 -5.184 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -6.588 7.978 -4.694 1.00 0.00 C ATOM 1076 CZ PHE A 66 -7.791 7.311 -4.802 1.00 0.00 C ATOM 0 H PHE A 66 -2.190 4.621 -7.417 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.827 3.524 -6.663 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.854 4.665 -4.787 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.340 6.012 -5.783 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.654 4.293 -5.748 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.470 7.841 -4.881 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.752 5.461 -5.272 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.569 9.016 -4.397 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.716 7.826 -4.588 1.00 0.00 H new ATOM 1086 N GLU A 67 -5.687 4.500 -8.765 1.00 0.00 N ATOM 1087 CA GLU A 67 -6.380 5.102 -9.918 1.00 0.00 C ATOM 1088 C GLU A 67 -5.403 5.831 -10.883 1.00 0.00 C ATOM 1089 O GLU A 67 -5.749 6.844 -11.509 1.00 0.00 O ATOM 1090 CB GLU A 67 -7.503 6.046 -9.438 1.00 0.00 C ATOM 1091 CG GLU A 67 -7.031 7.349 -8.812 1.00 0.00 C ATOM 1092 CD GLU A 67 -8.151 8.342 -8.653 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -8.455 9.063 -9.627 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -8.752 8.401 -7.572 1.00 0.00 O ATOM 0 H GLU A 67 -5.980 3.543 -8.568 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.829 4.289 -10.489 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.145 6.281 -10.287 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.117 5.514 -8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.590 7.143 -7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.247 7.784 -9.431 1.00 0.00 H new ATOM 1101 N GLY A 68 -4.201 5.284 -11.027 1.00 0.00 N ATOM 1102 CA GLY A 68 -3.198 5.893 -11.887 1.00 0.00 C ATOM 1103 C GLY A 68 -2.092 6.588 -11.100 1.00 0.00 C ATOM 1104 O GLY A 68 -1.165 7.163 -11.677 1.00 0.00 O ATOM 0 H GLY A 68 -3.901 4.427 -10.563 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.758 5.126 -12.525 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.680 6.616 -12.545 1.00 0.00 H new ATOM 1108 N GLN A 69 -2.175 6.535 -9.785 1.00 0.00 N ATOM 1109 CA GLN A 69 -1.181 7.145 -8.934 1.00 0.00 C ATOM 1110 C GLN A 69 -0.120 6.140 -8.573 1.00 0.00 C ATOM 1111 O GLN A 69 -0.403 4.972 -8.380 1.00 0.00 O ATOM 1112 CB GLN A 69 -1.820 7.699 -7.663 1.00 0.00 C ATOM 1113 CG GLN A 69 -2.605 8.983 -7.866 1.00 0.00 C ATOM 1114 CD GLN A 69 -1.724 10.158 -8.264 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -0.481 10.145 -7.815 1.00 0.00 O flip ATOM 1116 NE2 GLN A 69 -2.159 11.069 -8.966 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.930 6.070 -9.282 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.725 7.970 -9.482 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.485 6.943 -7.245 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.038 7.878 -6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.360 8.824 -8.636 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.135 9.228 -6.946 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.125 11.044 -9.294 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.554 11.850 -9.221 1.00 0.00 H new ATOM 1125 N ARG A 70 1.093 6.601 -8.467 1.00 0.00 N ATOM 1126 CA ARG A 70 2.206 5.746 -8.133 1.00 0.00 C ATOM 1127 C ARG A 70 2.619 5.963 -6.697 1.00 0.00 C ATOM 1128 O ARG A 70 3.038 7.057 -6.311 1.00 0.00 O ATOM 1129 CB ARG A 70 3.389 5.958 -9.088 1.00 0.00 C ATOM 1130 CG ARG A 70 3.649 7.406 -9.476 1.00 0.00 C ATOM 1131 CD ARG A 70 2.741 7.841 -10.627 1.00 0.00 C ATOM 1132 NE ARG A 70 2.972 9.224 -11.007 1.00 0.00 N ATOM 1133 CZ ARG A 70 2.096 9.990 -11.655 1.00 0.00 C ATOM 1134 NH1 ARG A 70 0.898 9.505 -12.008 1.00 0.00 N ATOM 1135 NH2 ARG A 70 2.422 11.239 -11.956 1.00 0.00 N ATOM 0 H ARG A 70 1.343 7.580 -8.609 1.00 0.00 H new ATOM 0 HA ARG A 70 1.883 4.711 -8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.289 5.555 -8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.212 5.380 -9.995 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.483 8.052 -8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.693 7.526 -9.767 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.912 7.195 -11.488 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.699 7.714 -10.335 1.00 0.00 H new ATOM 0 HE ARG A 70 3.870 9.639 -10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.651 8.542 -11.781 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.233 10.099 -12.504 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.337 11.605 -11.692 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.758 11.834 -12.452 1.00 0.00 H new ATOM 1149 N ILE A 71 2.472 4.937 -5.889 1.00 0.00 N ATOM 1150 CA ILE A 71 2.802 5.030 -4.492 1.00 0.00 C ATOM 1151 C ILE A 71 4.061 4.224 -4.184 1.00 0.00 C ATOM 1152 O ILE A 71 4.003 3.007 -3.925 1.00 0.00 O ATOM 1153 CB ILE A 71 1.631 4.537 -3.581 1.00 0.00 C ATOM 1154 CG1 ILE A 71 0.384 5.439 -3.716 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.070 4.469 -2.123 1.00 0.00 C ATOM 1156 CD1 ILE A 71 -0.413 5.238 -4.997 1.00 0.00 C ATOM 0 H ILE A 71 2.123 4.024 -6.182 1.00 0.00 H new ATOM 0 HA ILE A 71 2.980 6.083 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 71 1.362 3.536 -3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.272 5.258 -2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.699 6.481 -3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.239 4.124 -1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.905 3.775 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.380 5.459 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.269 5.913 -5.003 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.222 5.449 -5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.764 4.207 -5.049 1.00 0.00 H new ATOM 1168 N ALA A 72 5.210 4.878 -4.213 1.00 0.00 N ATOM 1169 CA ALA A 72 6.447 4.192 -3.927 1.00 0.00 C ATOM 1170 C ALA A 72 6.881 4.418 -2.487 1.00 0.00 C ATOM 1171 O ALA A 72 7.787 5.196 -2.202 1.00 0.00 O ATOM 1172 CB ALA A 72 7.541 4.618 -4.898 1.00 0.00 C ATOM 0 H ALA A 72 5.307 5.870 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 72 6.274 3.124 -4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.464 4.087 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.236 4.380 -5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.707 5.692 -4.810 1.00 0.00 H new ATOM 1178 N ASP A 73 6.193 3.729 -1.583 1.00 0.00 N ATOM 1179 CA ASP A 73 6.513 3.683 -0.141 1.00 0.00 C ATOM 1180 C ASP A 73 6.790 5.049 0.506 1.00 0.00 C ATOM 1181 O ASP A 73 7.477 5.128 1.514 1.00 0.00 O ATOM 1182 CB ASP A 73 7.685 2.737 0.090 1.00 0.00 C ATOM 1183 CG ASP A 73 7.373 1.345 -0.391 1.00 0.00 C ATOM 1184 OD1 ASP A 73 6.337 0.791 0.033 1.00 0.00 O ATOM 1185 OD2 ASP A 73 8.127 0.813 -1.220 1.00 0.00 O ATOM 0 H ASP A 73 5.376 3.170 -1.828 1.00 0.00 H new ATOM 0 HA ASP A 73 5.614 3.316 0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.566 3.114 -0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.928 2.710 1.152 1.00 0.00 H new ATOM 1190 N ASN A 74 6.222 6.114 -0.027 1.00 0.00 N ATOM 1191 CA ASN A 74 6.449 7.443 0.551 1.00 0.00 C ATOM 1192 C ASN A 74 5.245 8.343 0.345 1.00 0.00 C ATOM 1193 O ASN A 74 5.044 9.307 1.085 1.00 0.00 O ATOM 1194 CB ASN A 74 7.710 8.110 -0.026 1.00 0.00 C ATOM 1195 CG ASN A 74 7.496 8.696 -1.409 1.00 0.00 C ATOM 1196 OD1 ASN A 74 7.123 9.859 -1.557 1.00 0.00 O ATOM 1197 ND2 ASN A 74 7.729 7.903 -2.421 1.00 0.00 N ATOM 0 H ASN A 74 5.610 6.097 -0.843 1.00 0.00 H new ATOM 0 HA ASN A 74 6.601 7.300 1.621 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.037 8.900 0.650 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.514 7.375 -0.070 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.603 8.242 -3.375 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.037 6.945 -2.257 1.00 0.00 H new ATOM 1204 N HIS A 75 4.440 8.030 -0.668 1.00 0.00 N ATOM 1205 CA HIS A 75 3.244 8.791 -0.966 1.00 0.00 C ATOM 1206 C HIS A 75 2.304 8.756 0.228 1.00 0.00 C ATOM 1207 O HIS A 75 2.268 7.775 0.974 1.00 0.00 O ATOM 1208 CB HIS A 75 2.553 8.201 -2.192 1.00 0.00 C ATOM 1209 CG HIS A 75 2.195 9.209 -3.233 1.00 0.00 C ATOM 1210 ND1 HIS A 75 2.734 9.206 -4.499 1.00 0.00 N ATOM 1211 CD2 HIS A 75 1.333 10.245 -3.203 1.00 0.00 C ATOM 1212 CE1 HIS A 75 2.219 10.191 -5.196 1.00 0.00 C ATOM 1213 NE2 HIS A 75 1.367 10.835 -4.438 1.00 0.00 N ATOM 0 H HIS A 75 4.603 7.245 -1.298 1.00 0.00 H new ATOM 0 HA HIS A 75 3.516 9.826 -1.174 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.206 7.450 -2.638 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.647 7.686 -1.873 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.427 8.541 -4.842 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.729 10.552 -2.362 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.457 10.430 -6.222 1.00 0.00 H new ATOM 1222 N THR A 76 1.552 9.811 0.412 1.00 0.00 N ATOM 1223 CA THR A 76 0.670 9.920 1.556 1.00 0.00 C ATOM 1224 C THR A 76 -0.787 9.986 1.123 1.00 0.00 C ATOM 1225 O THR A 76 -1.087 10.385 -0.007 1.00 0.00 O ATOM 1226 CB THR A 76 1.007 11.174 2.385 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.886 12.339 1.568 1.00 0.00 O ATOM 1228 CG2 THR A 76 2.415 11.094 2.927 1.00 0.00 C ATOM 0 H THR A 76 1.530 10.613 -0.217 1.00 0.00 H new ATOM 0 HA THR A 76 0.818 9.029 2.167 1.00 0.00 H new ATOM 0 HB THR A 76 0.309 11.231 3.220 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.250 13.113 2.046 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.632 11.990 3.509 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.510 10.215 3.564 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.120 11.020 2.099 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.719 9.602 2.020 1.00 0.00 N ATOM 1237 CA PRO A 77 -3.158 9.637 1.735 1.00 0.00 C ATOM 1238 C PRO A 77 -3.637 11.056 1.432 1.00 0.00 C ATOM 1239 O PRO A 77 -4.552 11.262 0.632 1.00 0.00 O ATOM 1240 CB PRO A 77 -3.806 9.110 3.032 1.00 0.00 C ATOM 1241 CG PRO A 77 -2.752 9.234 4.078 1.00 0.00 C ATOM 1242 CD PRO A 77 -1.437 9.091 3.375 1.00 0.00 C ATOM 0 HA PRO A 77 -3.417 9.046 0.857 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.690 9.691 3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.127 8.075 2.918 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.819 10.197 4.584 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.870 8.464 4.841 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.653 9.667 3.867 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.104 8.053 3.352 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.981 12.035 2.042 1.00 0.00 N ATOM 1251 CA LYS A 78 -3.343 13.438 1.859 1.00 0.00 C ATOM 1252 C LYS A 78 -2.889 13.921 0.489 1.00 0.00 C ATOM 1253 O LYS A 78 -3.531 14.752 -0.143 1.00 0.00 O ATOM 1254 CB LYS A 78 -2.694 14.309 2.949 1.00 0.00 C ATOM 1255 CG LYS A 78 -1.173 14.306 2.907 1.00 0.00 C ATOM 1256 CD LYS A 78 -0.581 15.551 3.539 1.00 0.00 C ATOM 1257 CE LYS A 78 0.936 15.498 3.521 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.546 16.690 4.159 1.00 0.00 N ATOM 0 H LYS A 78 -2.192 11.884 2.671 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.427 13.525 1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.050 15.334 2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.023 13.957 3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.798 13.424 3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.840 14.232 1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.924 16.435 3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.934 15.645 4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.273 14.599 4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.283 15.422 2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.582 16.611 4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.247 17.547 3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.237 16.750 5.150 1.00 0.00 H new ATOM 1272 N GLU A 79 -1.779 13.378 0.029 1.00 0.00 N ATOM 1273 CA GLU A 79 -1.186 13.766 -1.230 1.00 0.00 C ATOM 1274 C GLU A 79 -1.923 13.111 -2.387 1.00 0.00 C ATOM 1275 O GLU A 79 -1.977 13.640 -3.496 1.00 0.00 O ATOM 1276 CB GLU A 79 0.288 13.367 -1.219 1.00 0.00 C ATOM 1277 CG GLU A 79 1.074 13.752 -2.453 1.00 0.00 C ATOM 1278 CD GLU A 79 2.556 13.521 -2.268 1.00 0.00 C ATOM 1279 OE1 GLU A 79 2.962 12.360 -2.078 1.00 0.00 O ATOM 1280 OE2 GLU A 79 3.321 14.507 -2.286 1.00 0.00 O ATOM 0 H GLU A 79 -1.262 12.651 0.523 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.265 14.845 -1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.763 13.821 -0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.353 12.287 -1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.719 13.173 -3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.896 14.802 -2.685 1.00 0.00 H new ATOM 1287 N LEU A 80 -2.511 11.961 -2.120 1.00 0.00 N ATOM 1288 CA LEU A 80 -3.252 11.226 -3.130 1.00 0.00 C ATOM 1289 C LEU A 80 -4.660 11.771 -3.280 1.00 0.00 C ATOM 1290 O LEU A 80 -5.355 11.468 -4.250 1.00 0.00 O ATOM 1291 CB LEU A 80 -3.314 9.759 -2.745 1.00 0.00 C ATOM 1292 CG LEU A 80 -1.976 9.044 -2.704 1.00 0.00 C ATOM 1293 CD1 LEU A 80 -2.086 7.778 -1.893 1.00 0.00 C ATOM 1294 CD2 LEU A 80 -1.498 8.734 -4.111 1.00 0.00 C ATOM 0 H LEU A 80 -2.490 11.511 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.737 11.340 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.782 9.677 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.963 9.242 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.245 9.698 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.119 7.275 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.390 8.023 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.828 7.120 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.537 8.221 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.226 8.095 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.387 9.663 -4.670 1.00 0.00 H new ATOM 1306 N GLY A 81 -5.088 12.585 -2.325 1.00 0.00 N ATOM 1307 CA GLY A 81 -6.417 13.141 -2.403 1.00 0.00 C ATOM 1308 C GLY A 81 -7.484 12.141 -2.014 1.00 0.00 C ATOM 1309 O GLY A 81 -8.662 12.327 -2.322 1.00 0.00 O ATOM 0 H GLY A 81 -4.544 12.866 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.483 14.011 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.603 13.490 -3.419 1.00 0.00 H new ATOM 1313 N MET A 82 -7.094 11.075 -1.327 1.00 0.00 N ATOM 1314 CA MET A 82 -8.036 10.019 -0.990 1.00 0.00 C ATOM 1315 C MET A 82 -8.476 10.143 0.464 1.00 0.00 C ATOM 1316 O MET A 82 -7.961 10.981 1.207 1.00 0.00 O ATOM 1317 CB MET A 82 -7.438 8.634 -1.273 1.00 0.00 C ATOM 1318 CG MET A 82 -6.293 8.226 -0.362 1.00 0.00 C ATOM 1319 SD MET A 82 -5.573 6.647 -0.850 1.00 0.00 S ATOM 1320 CE MET A 82 -4.471 6.326 0.518 1.00 0.00 C ATOM 0 H MET A 82 -6.142 10.920 -0.996 1.00 0.00 H new ATOM 0 HA MET A 82 -8.916 10.131 -1.623 1.00 0.00 H new ATOM 0 HB2 MET A 82 -8.230 7.890 -1.190 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.086 8.611 -2.304 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.523 8.997 -0.380 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.653 8.159 0.665 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.329 5.251 0.626 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.509 6.802 0.329 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.902 6.729 1.434 1.00 0.00 H new ATOM 1330 N GLU A 83 -9.418 9.317 0.875 1.00 0.00 N ATOM 1331 CA GLU A 83 -9.957 9.379 2.222 1.00 0.00 C ATOM 1332 C GLU A 83 -10.217 7.962 2.742 1.00 0.00 C ATOM 1333 O GLU A 83 -9.623 7.000 2.266 1.00 0.00 O ATOM 1334 CB GLU A 83 -11.247 10.219 2.237 1.00 0.00 C ATOM 1335 CG GLU A 83 -11.469 10.999 3.534 1.00 0.00 C ATOM 1336 CD GLU A 83 -12.734 11.823 3.508 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -13.815 11.269 3.796 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -12.656 13.027 3.200 1.00 0.00 O ATOM 0 H GLU A 83 -9.830 8.589 0.291 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.233 9.859 2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.221 10.921 1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.099 9.560 2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.512 10.301 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.616 11.655 3.709 1.00 0.00 H new ATOM 1345 N GLU A 84 -11.080 7.833 3.738 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.387 6.543 4.322 1.00 0.00 C ATOM 1347 C GLU A 84 -12.115 5.636 3.329 1.00 0.00 C ATOM 1348 O GLU A 84 -12.717 6.107 2.354 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.218 6.715 5.588 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.549 7.392 5.349 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.369 7.502 6.602 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.850 6.461 7.094 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.528 8.631 7.114 1.00 0.00 O ATOM 0 H GLU A 84 -11.582 8.615 4.159 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.442 6.064 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.392 5.736 6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.648 7.298 6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.379 8.388 4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.109 6.832 4.600 1.00 0.00 H new ATOM 1360 N GLU A 85 -12.038 4.329 3.598 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.617 3.261 2.779 1.00 0.00 C ATOM 1362 C GLU A 85 -12.275 3.409 1.314 1.00 0.00 C ATOM 1363 O GLU A 85 -13.082 3.114 0.422 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.128 3.055 3.016 1.00 0.00 C ATOM 1365 CG GLU A 85 -15.002 4.287 2.889 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.449 3.970 3.154 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.840 3.916 4.340 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -17.200 3.745 2.184 1.00 0.00 O ATOM 0 H GLU A 85 -11.553 3.973 4.422 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.142 2.341 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.486 2.307 2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.264 2.640 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.662 5.049 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.898 4.706 1.888 1.00 0.00 H new ATOM 1375 N ASP A 86 -11.059 3.855 1.060 1.00 0.00 N ATOM 1376 CA ASP A 86 -10.565 3.981 -0.283 1.00 0.00 C ATOM 1377 C ASP A 86 -9.955 2.671 -0.719 1.00 0.00 C ATOM 1378 O ASP A 86 -9.662 1.806 0.117 1.00 0.00 O ATOM 1379 CB ASP A 86 -9.524 5.082 -0.361 1.00 0.00 C ATOM 1380 CG ASP A 86 -9.975 6.231 -1.250 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -9.948 6.079 -2.491 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -10.376 7.292 -0.711 1.00 0.00 O ATOM 0 H ASP A 86 -10.395 4.137 1.781 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.394 4.236 -0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.318 5.458 0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.590 4.671 -0.745 1.00 0.00 H new ATOM 1387 N VAL A 87 -9.754 2.504 -2.006 1.00 0.00 N ATOM 1388 CA VAL A 87 -9.175 1.287 -2.506 1.00 0.00 C ATOM 1389 C VAL A 87 -7.934 1.566 -3.342 1.00 0.00 C ATOM 1390 O VAL A 87 -7.908 2.464 -4.186 1.00 0.00 O ATOM 1391 CB VAL A 87 -10.194 0.430 -3.317 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.681 1.165 -4.550 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -9.594 -0.920 -3.696 1.00 0.00 C ATOM 0 H VAL A 87 -9.983 3.195 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.883 0.705 -1.632 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.056 0.253 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.390 0.538 -5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.171 2.092 -4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.833 1.394 -5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.326 -1.498 -4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.705 -0.764 -4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.322 -1.464 -2.792 1.00 0.00 H new ATOM 1403 N ILE A 88 -6.902 0.805 -3.080 1.00 0.00 N ATOM 1404 CA ILE A 88 -5.670 0.907 -3.827 1.00 0.00 C ATOM 1405 C ILE A 88 -5.517 -0.350 -4.662 1.00 0.00 C ATOM 1406 O ILE A 88 -5.922 -1.442 -4.241 1.00 0.00 O ATOM 1407 CB ILE A 88 -4.439 1.079 -2.909 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -4.662 2.222 -1.899 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -3.185 1.329 -3.739 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.784 3.590 -2.529 1.00 0.00 C ATOM 0 H ILE A 88 -6.890 0.098 -2.345 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.720 1.794 -4.458 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.301 0.155 -2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.567 2.015 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.833 2.233 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.328 1.448 -3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.015 0.483 -4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.315 2.235 -4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.939 4.337 -1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.870 3.821 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.631 3.600 -3.215 1.00 0.00 H new ATOM 1422 N GLU A 89 -4.949 -0.220 -5.833 1.00 0.00 N ATOM 1423 CA GLU A 89 -4.835 -1.331 -6.737 1.00 0.00 C ATOM 1424 C GLU A 89 -3.382 -1.752 -6.892 1.00 0.00 C ATOM 1425 O GLU A 89 -2.507 -0.943 -7.190 1.00 0.00 O ATOM 1426 CB GLU A 89 -5.452 -0.953 -8.077 1.00 0.00 C ATOM 1427 CG GLU A 89 -6.762 -0.195 -7.917 1.00 0.00 C ATOM 1428 CD GLU A 89 -7.531 -0.049 -9.204 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -8.308 -0.967 -9.542 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -7.386 0.989 -9.876 1.00 0.00 O ATOM 0 H GLU A 89 -4.555 0.653 -6.184 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.376 -2.186 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.747 -0.341 -8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.627 -1.856 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.385 -0.712 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.553 0.796 -7.513 1.00 0.00 H new ATOM 1437 N VAL A 90 -3.121 -3.019 -6.677 1.00 0.00 N ATOM 1438 CA VAL A 90 -1.776 -3.542 -6.756 1.00 0.00 C ATOM 1439 C VAL A 90 -1.567 -4.293 -8.064 1.00 0.00 C ATOM 1440 O VAL A 90 -2.287 -5.249 -8.374 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.470 -4.465 -5.558 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.064 -5.006 -5.637 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.681 -3.724 -4.252 1.00 0.00 C ATOM 0 H VAL A 90 -3.830 -3.714 -6.443 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.087 -2.698 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.159 -5.309 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.125 -5.653 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.055 -5.578 -6.557 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.645 -4.178 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.461 -4.389 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.018 -2.860 -4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.716 -3.390 -4.187 1.00 0.00 H new ATOM 1453 N TYR A 91 -0.584 -3.858 -8.834 1.00 0.00 N ATOM 1454 CA TYR A 91 -0.289 -4.458 -10.129 1.00 0.00 C ATOM 1455 C TYR A 91 1.051 -5.155 -10.097 1.00 0.00 C ATOM 1456 O TYR A 91 2.015 -4.636 -9.542 1.00 0.00 O ATOM 1457 CB TYR A 91 -0.283 -3.390 -11.216 1.00 0.00 C ATOM 1458 CG TYR A 91 -1.593 -2.657 -11.354 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -1.880 -1.562 -10.553 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.541 -3.051 -12.288 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.065 -0.883 -10.676 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -3.735 -2.373 -12.414 1.00 0.00 C ATOM 1463 CZ TYR A 91 -3.990 -1.290 -11.604 1.00 0.00 C ATOM 1464 OH TYR A 91 -5.173 -0.606 -11.727 1.00 0.00 O ATOM 0 H TYR A 91 0.030 -3.083 -8.583 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.064 -5.191 -10.350 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.505 -2.669 -11.000 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -0.036 -3.856 -12.170 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.157 -1.238 -9.819 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.341 -3.900 -12.925 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.269 -0.031 -10.045 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.465 -2.690 -13.144 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.718 -1.019 -12.429 1.00 0.00 H new ATOM 1474 N GLN A 92 1.121 -6.321 -10.704 1.00 0.00 N ATOM 1475 CA GLN A 92 2.341 -7.108 -10.706 1.00 0.00 C ATOM 1476 C GLN A 92 3.258 -6.665 -11.828 1.00 0.00 C ATOM 1477 O GLN A 92 2.901 -6.748 -13.009 1.00 0.00 O ATOM 1478 CB GLN A 92 2.007 -8.604 -10.835 1.00 0.00 C ATOM 1479 CG GLN A 92 3.038 -9.542 -10.211 1.00 0.00 C ATOM 1480 CD GLN A 92 4.348 -9.592 -10.968 1.00 0.00 C ATOM 1481 OE1 GLN A 92 4.381 -9.458 -12.190 1.00 0.00 O ATOM 1482 NE2 GLN A 92 5.428 -9.785 -10.252 1.00 0.00 N ATOM 0 H GLN A 92 0.343 -6.749 -11.206 1.00 0.00 H new ATOM 0 HA GLN A 92 2.860 -6.949 -9.761 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.039 -8.788 -10.369 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.904 -8.850 -11.892 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.232 -9.225 -9.186 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.619 -10.547 -10.160 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.357 -9.891 -9.240 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.340 -9.829 -10.706 1.00 0.00 H new ATOM 1491 N GLU A 93 4.440 -6.192 -11.456 1.00 0.00 N ATOM 1492 CA GLU A 93 5.448 -5.747 -12.402 1.00 0.00 C ATOM 1493 C GLU A 93 6.667 -5.244 -11.669 1.00 0.00 C ATOM 1494 O GLU A 93 6.709 -4.112 -11.169 1.00 0.00 O ATOM 1495 CB GLU A 93 4.915 -4.698 -13.375 1.00 0.00 C ATOM 1496 CG GLU A 93 5.925 -4.266 -14.434 1.00 0.00 C ATOM 1497 CD GLU A 93 5.283 -3.510 -15.575 1.00 0.00 C ATOM 1498 OE1 GLU A 93 4.610 -4.151 -16.411 1.00 0.00 O ATOM 1499 OE2 GLU A 93 5.446 -2.273 -15.649 1.00 0.00 O ATOM 0 H GLU A 93 4.726 -6.107 -10.481 1.00 0.00 H new ATOM 0 HA GLU A 93 5.732 -6.609 -13.006 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.030 -5.094 -13.872 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.598 -3.821 -12.811 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.686 -3.639 -13.970 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.433 -5.147 -14.827 1.00 0.00 H new ATOM 1506 N GLN A 94 7.630 -6.115 -11.570 1.00 0.00 N ATOM 1507 CA GLN A 94 8.876 -5.818 -10.898 1.00 0.00 C ATOM 1508 C GLN A 94 9.667 -4.771 -11.675 1.00 0.00 C ATOM 1509 O GLN A 94 9.486 -4.598 -12.880 1.00 0.00 O ATOM 1510 CB GLN A 94 9.713 -7.083 -10.700 1.00 0.00 C ATOM 1511 CG GLN A 94 10.227 -7.702 -11.987 1.00 0.00 C ATOM 1512 CD GLN A 94 11.148 -8.868 -11.733 1.00 0.00 C ATOM 1513 OE1 GLN A 94 12.356 -8.695 -11.605 1.00 0.00 O ATOM 1514 NE2 GLN A 94 10.591 -10.055 -11.659 1.00 0.00 N ATOM 0 H GLN A 94 7.579 -7.059 -11.953 1.00 0.00 H new ATOM 0 HA GLN A 94 8.638 -5.415 -9.914 1.00 0.00 H new ATOM 0 HB2 GLN A 94 10.563 -6.845 -10.061 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.112 -7.822 -10.170 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.382 -8.034 -12.591 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.755 -6.944 -12.566 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.582 -10.153 -11.772 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.167 -10.879 -11.489 1.00 0.00 H new ATOM 1523 N THR A 95 10.538 -4.069 -10.989 1.00 0.00 N ATOM 1524 CA THR A 95 11.343 -3.043 -11.616 1.00 0.00 C ATOM 1525 C THR A 95 12.787 -3.135 -11.122 1.00 0.00 C ATOM 1526 O THR A 95 13.524 -2.148 -11.092 1.00 0.00 O ATOM 1527 CB THR A 95 10.758 -1.625 -11.333 1.00 0.00 C ATOM 1528 OG1 THR A 95 11.547 -0.616 -11.984 1.00 0.00 O ATOM 1529 CG2 THR A 95 10.701 -1.342 -9.835 1.00 0.00 C ATOM 0 H THR A 95 10.709 -4.189 -9.991 1.00 0.00 H new ATOM 0 HA THR A 95 11.328 -3.204 -12.694 1.00 0.00 H new ATOM 0 HB THR A 95 9.743 -1.601 -11.730 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.497 -0.844 -11.908 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.289 -0.347 -9.668 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.067 -2.083 -9.349 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.706 -1.393 -9.416 1.00 0.00 H new ATOM 1537 N GLY A 96 13.196 -4.335 -10.744 1.00 0.00 N ATOM 1538 CA GLY A 96 14.532 -4.532 -10.251 1.00 0.00 C ATOM 1539 C GLY A 96 14.571 -4.544 -8.745 1.00 0.00 C ATOM 1540 O GLY A 96 14.675 -5.602 -8.121 1.00 0.00 O ATOM 0 H GLY A 96 12.620 -5.176 -10.772 1.00 0.00 H new ATOM 0 HA2 GLY A 96 14.926 -5.473 -10.633 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.179 -3.739 -10.626 1.00 0.00 H new ATOM 1544 N GLY A 97 14.464 -3.372 -8.145 1.00 0.00 N ATOM 1545 CA GLY A 97 14.491 -3.278 -6.703 1.00 0.00 C ATOM 1546 C GLY A 97 15.893 -3.413 -6.164 1.00 0.00 C ATOM 1547 O GLY A 97 16.059 -3.951 -5.050 1.00 0.00 O ATOM 1548 OXT GLY A 97 16.839 -2.992 -6.858 1.00 0.00 O ATOM 0 H GLY A 97 14.359 -2.482 -8.632 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.072 -2.321 -6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.860 -4.057 -6.275 1.00 0.00 H new TER 1552 GLY A 97